Quick start¶

This simple tutorial will illustrate the basic capabilities of the package.

Table of Contents¶

Basic interactive usage
- Getting single elements
- Getting-list-of-elements
Extended attributes
- Oxidation states
- Ionization energies
- Isotopes
- Ionic radii
- Electronic configuration
Useful functions for calculating properties
Electronegativity
CLI utility

Basic interactive usage¶

Getting single elements¶

The simplest way of accessing the elements is importing them directly from mendeleev by symbols

[1]:

from mendeleev import Si, Fe, O

print("Si's name: ", Si.name)
print("Fe's atomic number:", Fe.atomic_number)
print("O's atomic weight: ", O.atomic_weight)

Si's name:  Silicon
Fe's atomic number: 26
O's atomic weight:  15.999

An alternative interface to the data is through the element function that returns a single Element object or a list of Element object depending on the arguments.

The function can be imported directly from the mendeleev package

[2]:

from mendeleev import element

The element method accepts unique identifiers: atomic number, atomic symbol or element’s name in English. To retrieve the entries on Silicon by symbol type

[3]:

si = element("Si")

[4]:

si

[4]:

Element(
        abundance_crust=282000.0,
        abundance_sea=2.2,
        atomic_number=14,
        atomic_radius=110.0,
        atomic_radius_rahm=231.99999999999997,
        atomic_volume=12.1,
        atomic_weight=28.085,
        atomic_weight_uncertainty=None,
        block='p',
        c6=305.0,
        c6_gb=308.0,
        cas='7440-21-3',
        covalent_radius_bragg=117.0,
        covalent_radius_cordero=111.00000000000001,
        covalent_radius_pyykko=115.99999999999999,
        covalent_radius_pyykko_double=107.0,
        covalent_radius_pyykko_triple=102.0,
        cpk_color='#daa520',
        density=2.3296,
        description="Metalloid element belonging to group 14 of the periodic table. It is the second most abundant element in the Earth's crust, making up 25.7% of it by weight. Chemically less reactive than carbon. First identified by Lavoisier in 1787 and first isolated in 1823 by Berzelius.",
        dipole_polarizability=37.3,
        dipole_polarizability_unc=0.7,
        discoverers='Jöns Berzelius',
        discovery_location='Sweden',
        discovery_year=1824,
        ec=<ElectronicConfiguration(conf="1s2 2s2 2p6 3s2 3p2")>,
        econf='[Ne] 3s2 3p2',
        electron_affinity=1.3895211,
        en_allen=11.33,
        en_ghosh=0.178503,
        en_gunnarsson_lundqvist=4.91,
        en_miedema=4.7,
        en_pauling=1.9,
        en_robles_bartolotti=4.39,
        evaporation_heat=383.0,
        fusion_heat=50.6,
        gas_basicity=814.1,
        geochemical_class='major',
        glawe_number=85,
        goldschmidt_class='litophile',
        group=<Group(symbol=IVA, name=Carbon group)>,
        group_id=14,
        heat_of_formation=450.0,
        ionic_radii=[IonicRadius(
        atomic_number=14,
        charge=4,
        coordination='IV',
        crystal_radius=40.0,
        econf='2p6',
        id=379,
        ionic_radius=26.0,
        most_reliable=True,
        origin='',
        spin='',
), IonicRadius(
        atomic_number=14,
        charge=4,
        coordination='VI',
        crystal_radius=54.0,
        econf='2p6',
        id=380,
        ionic_radius=40.0,
        most_reliable=True,
        origin='from r^3 vs V plots, ',
        spin='',
)],
        is_monoisotopic=None,
        is_radioactive=False,
        isotopes=[<Isotope(Z=14, A=22, mass=22.0361(5), abundance=None)>, <Isotope(Z=14, A=23, mass=23.0257(5), abundance=None)>, <Isotope(Z=14, A=24, mass=24.01154(2), abundance=None)>, <Isotope(Z=14, A=25, mass=25.00411(1), abundance=None)>, <Isotope(Z=14, A=26, mass=25.9923338(1), abundance=None)>, <Isotope(Z=14, A=27, mass=26.9867047(1), abundance=None)>, <Isotope(Z=14, A=28, mass=27.9769265344(6), abundance=92.254(4))>, <Isotope(Z=14, A=29, mass=28.9764946643(6), abundance=4.67(2))>, <Isotope(Z=14, A=30, mass=29.97377014(2), abundance=3.074(2))>, <Isotope(Z=14, A=31, mass=30.97536320(5), abundance=None)>, <Isotope(Z=14, A=32, mass=31.9741515(3), abundance=None)>, <Isotope(Z=14, A=33, mass=32.9779770(8), abundance=None)>, <Isotope(Z=14, A=34, mass=33.9785380(9), abundance=None)>, <Isotope(Z=14, A=35, mass=34.98455(4), abundance=None)>, <Isotope(Z=14, A=36, mass=35.98665(8), abundance=None)>, <Isotope(Z=14, A=37, mass=36.9929(1), abundance=None)>, <Isotope(Z=14, A=38, mass=37.9955(1), abundance=None)>, <Isotope(Z=14, A=39, mass=39.0025(1), abundance=None)>, <Isotope(Z=14, A=40, mass=40.0061(1), abundance=None)>, <Isotope(Z=14, A=41, mass=41.0142(3), abundance=None)>, <Isotope(Z=14, A=42, mass=42.0181(3), abundance=None)>, <Isotope(Z=14, A=43, mass=43.0261(4), abundance=None)>, <Isotope(Z=14, A=44, mass=44.0315(5), abundance=None)>, <Isotope(Z=14, A=45, mass=45.0398(6), abundance=None)>],
        jmol_color='#f0c8a0',
        lattice_constant=5.43,
        lattice_structure='DIA',
        mendeleev_number=88,
        metallic_radius=117.0,
        metallic_radius_c12=138.0,
        miedema_electron_density=3.38,
        miedema_molar_volume=8.6,
        molar_heat_capacity=19.99,
        molcas_gv_color='#f0c8a0',
        name='Silicon',
        name_origin='Latin: silex, silicus, (flint).',
        period=3,
        pettifor_number=85,
        phase_transitions=[PhaseTransition(atomic_number=14, allotrope=None, melting_point=1687.15, boiling_point=3538.15, triple_point_temperature=None, triple_point_pressure=None, critical_temperature=None, critical_pressure=None, is_sublimation_point=None, is_transition=None)],
        political_stability_of_top_producer=None,
        political_stability_of_top_reserve_holder=None,
        production_concentration=None,
        proton_affinity=837.0,
        recycling_rate=None,
        relative_supply_risk=None,
        reserve_distribution=None,
        scattering_factors=[Z=14 E=10.0 f1=-9999.0 f2=3.94851, Z=14 E=10.1617 f1=-9999.0 f2=3.95531, Z=14 E=10.3261 f1=-9999.0 f2=3.96212, Z=14 E=10.4931 f1=-9999.0 f2=3.96894, Z=14 E=10.6628 f1=-9999.0 f2=3.97577, Z=14 E=10.8353 f1=-9999.0 f2=3.98262, Z=14 E=11.0105 f1=-9999.0 f2=3.98948, Z=14 E=11.1886 f1=-9999.0 f2=3.99635, Z=14 E=11.3696 f1=-9999.0 f2=4.00322, Z=14 E=11.5535 f1=-9999.0 f2=4.01012, Z=14 E=11.7404 f1=-9999.0 f2=4.01702, Z=14 E=11.9303 f1=-9999.0 f2=4.02394, Z=14 E=12.1232 f1=-9999.0 f2=4.00019, Z=14 E=12.3193 f1=-9999.0 f2=3.9593, Z=14 E=12.5186 f1=-9999.0 f2=3.91883, Z=14 E=12.721 f1=-9999.0 f2=3.87876, Z=14 E=12.9268 f1=-9999.0 f2=3.83911, Z=14 E=13.1359 f1=-9999.0 f2=3.79987, Z=14 E=13.3483 f1=-9999.0 f2=3.76102, Z=14 E=13.5642 f1=-9999.0 f2=3.72257, Z=14 E=13.7836 f1=-9999.0 f2=3.68452, Z=14 E=14.0066 f1=-9999.0 f2=3.64513, Z=14 E=14.2331 f1=-9999.0 f2=3.5502, Z=14 E=14.4633 f1=-9999.0 f2=3.45774, Z=14 E=14.6972 f1=-9999.0 f2=3.36769, Z=14 E=14.935 f1=-9999.0 f2=3.27998, Z=14 E=15.1765 f1=-9999.0 f2=3.19455, Z=14 E=15.422 f1=-9999.0 f2=3.11136, Z=14 E=15.6714 f1=-9999.0 f2=3.03032, Z=14 E=15.9249 f1=-9999.0 f2=2.9514, Z=14 E=16.1825 f1=-9999.0 f2=2.83114, Z=14 E=16.4442 f1=-9999.0 f2=2.69869, Z=14 E=16.7102 f1=-9999.0 f2=2.57244, Z=14 E=16.9805 f1=-9999.0 f2=2.4521, Z=14 E=17.2551 f1=-9999.0 f2=2.33738, Z=14 E=17.5342 f1=-9999.0 f2=2.22803, Z=14 E=17.8178 f1=-9999.0 f2=2.1238, Z=14 E=18.106 f1=-9999.0 f2=1.97554, Z=14 E=18.3988 f1=-9999.0 f2=1.76138, Z=14 E=18.6964 f1=-9999.0 f2=1.57043, Z=14 E=18.9988 f1=-9999.0 f2=1.40019, Z=14 E=19.3061 f1=-9999.0 f2=1.2484, Z=14 E=19.6184 f1=-9999.0 f2=1.11306, Z=14 E=19.9357 f1=-9999.0 f2=0.992396, Z=14 E=20.2581 f1=-9999.0 f2=0.862336, Z=14 E=20.5858 f1=-9999.0 f2=0.753564, Z=14 E=20.9187 f1=-9999.0 f2=0.698871, Z=14 E=21.2571 f1=-9999.0 f2=0.648148, Z=14 E=21.6009 f1=-9999.0 f2=0.602543, Z=14 E=21.9503 f1=-9999.0 f2=0.561516, Z=14 E=22.3053 f1=-9999.0 f2=0.523281, Z=14 E=22.6661 f1=-9999.0 f2=0.496895, Z=14 E=23.0327 f1=-9999.0 f2=0.478071, Z=14 E=23.4052 f1=-9999.0 f2=0.459962, Z=14 E=23.7838 f1=-9999.0 f2=0.442538, Z=14 E=24.1685 f1=-9999.0 f2=0.425774, Z=14 E=24.5594 f1=-9999.0 f2=0.413096, Z=14 E=24.9566 f1=-9999.0 f2=0.403041, Z=14 E=25.3602 f1=-9999.0 f2=0.393231, Z=14 E=25.7704 f1=-9999.0 f2=0.38366, Z=14 E=26.1872 f1=-9999.0 f2=0.374321, Z=14 E=26.6108 f1=-9999.0 f2=0.36521, Z=14 E=27.0412 f1=-9999.0 f2=0.366288, Z=14 E=27.4786 f1=-9999.0 f2=0.367374, Z=14 E=27.923 f1=-9999.0 f2=0.368463, Z=14 E=28.3747 f1=-9999.0 f2=0.369555, Z=14 E=28.8336 f1=-9999.0 f2=0.37065, Z=14 E=29.3 f1=3.8338 f2=0.371749, Z=14 E=29.7739 f1=3.80691 f2=0.372851, Z=14 E=30.2554 f1=3.78097 f2=0.373956, Z=14 E=30.7448 f1=3.75582 f2=0.375064, Z=14 E=31.2421 f1=3.73048 f2=0.376176, Z=14 E=31.7474 f1=3.7055 f2=0.378088, Z=14 E=32.2609 f1=3.68147 f2=0.381996, Z=14 E=32.7827 f1=3.65905 f2=0.385945, Z=14 E=33.3129 f1=3.63764 f2=0.389935, Z=14 E=33.8517 f1=3.61703 f2=0.393965, Z=14 E=34.3992 f1=3.59711 f2=0.398038, Z=14 E=34.9556 f1=3.57779 f2=0.402152, Z=14 E=35.521 f1=3.559 f2=0.406309, Z=14 E=36.0955 f1=3.54071 f2=0.410509, Z=14 E=36.6793 f1=3.52286 f2=0.414753, Z=14 E=37.2726 f1=3.50545 f2=0.41904, Z=14 E=37.8754 f1=3.48848 f2=0.423372, Z=14 E=38.488 f1=3.472 f2=0.427748, Z=14 E=39.1106 f1=3.45628 f2=0.43217, Z=14 E=39.7431 f1=3.44176 f2=0.435537, Z=14 E=40.386 f1=3.42689 f2=0.437136, Z=14 E=41.0392 f1=3.4105 f2=0.438741, Z=14 E=41.7029 f1=3.39378 f2=0.440351, Z=14 E=42.3774 f1=3.37667 f2=0.441968, Z=14 E=43.0629 f1=3.35917 f2=0.44359, Z=14 E=43.7594 f1=3.3413 f2=0.445218, Z=14 E=44.4671 f1=3.32304 f2=0.446852, Z=14 E=45.1864 f1=3.3044 f2=0.448493, Z=14 E=45.9172 f1=3.28549 f2=0.450139, Z=14 E=46.6599 f1=3.26615 f2=0.451198, Z=14 E=47.4146 f1=3.24599 f2=0.451979, Z=14 E=48.1815 f1=3.22476 f2=0.452762, Z=14 E=48.9608 f1=3.20267 f2=0.453547, Z=14 E=49.7527 f1=3.17964 f2=0.454332, Z=14 E=50.5574 f1=3.15558 f2=0.455119, Z=14 E=51.3751 f1=3.13042 f2=0.455908, Z=14 E=52.2061 f1=3.10325 f2=0.456698, Z=14 E=53.0505 f1=3.07444 f2=0.458301, Z=14 E=53.9085 f1=3.04507 f2=0.461948, Z=14 E=54.7804 f1=3.01545 f2=0.465624, Z=14 E=55.6665 f1=2.98498 f2=0.469328, Z=14 E=56.5668 f1=2.95338 f2=0.473062, Z=14 E=57.4817 f1=2.9204 f2=0.476826, Z=14 E=58.4115 f1=2.88519 f2=0.48062, Z=14 E=59.3562 f1=2.84598 f2=0.484444, Z=14 E=60.3163 f1=2.80606 f2=0.494947, Z=14 E=61.2918 f1=2.76788 f2=0.506504, Z=14 E=62.2832 f1=2.73042 f2=0.518332, Z=14 E=63.2906 f1=2.69333 f2=0.530436, Z=14 E=64.3142 f1=2.65696 f2=0.542822, Z=14 E=65.3545 f1=2.62418 f2=0.554884, Z=14 E=66.4115 f1=2.58874 f2=0.558968, Z=14 E=67.4857 f1=2.54971 f2=0.563081, Z=14 E=68.5772 f1=2.50917 f2=0.567224, Z=14 E=69.6864 f1=2.46935 f2=0.571398, Z=14 E=70.8135 f1=2.43129 f2=0.566814, Z=14 E=71.9588 f1=2.38275 f2=0.552979, Z=14 E=73.1227 f1=2.32504 f2=0.539483, Z=14 E=74.3054 f1=2.26322 f2=0.526316, Z=14 E=75.5072 f1=2.19828 f2=0.504782, Z=14 E=76.7285 f1=2.11635 f2=0.477417, Z=14 E=77.9695 f1=2.01618 f2=0.451535, Z=14 E=79.2306 f1=1.9017 f2=0.427364, Z=14 E=80.5121 f1=1.77437 f2=0.422623, Z=14 E=81.8143 f1=1.64458 f2=0.417936, Z=14 E=83.1376 f1=1.50518 f2=0.4133, Z=14 E=84.4823 f1=1.34727 f2=0.409326, Z=14 E=85.8487 f1=1.17621 f2=0.415946, Z=14 E=87.2373 f1=0.995339 f2=0.422674, Z=14 E=88.6483 f1=0.794497 f2=0.42951, Z=14 E=90.0821 f1=0.568059 f2=0.436457, Z=14 E=91.5391 f1=0.306962 f2=0.444926, Z=14 E=93.0197 f1=0.00161588 f2=0.456528, Z=14 E=94.5242 f1=-0.366911 f2=0.468434, Z=14 E=96.053 f1=-0.841388 f2=0.48065, Z=14 E=97.6066 f1=-1.52605 f2=0.495035, Z=14 E=99.1853 f1=-2.88115 f2=0.517644, Z=14 E=99.5 f1=-3.50392 f2=0.522228, Z=14 E=99.524 f1=-3.56793 f2=0.517644, Z=14 E=99.549 f1=-3.65086 f2=0.517841, Z=14 E=99.576 f1=-3.74861 f2=0.521284, Z=14 E=99.601 f1=-3.84977 f2=0.535297, Z=14 E=99.626 f1=-3.95788 f2=0.552022, Z=14 E=99.649 f1=-4.07048 f2=0.581748, Z=14 E=99.676 f1=-4.2137 f2=0.630001, Z=14 E=99.699 f1=-4.33738 f2=0.708784, Z=14 E=99.726 f1=-4.47439 f2=0.813415, Z=14 E=99.749 f1=-4.57087 f2=0.941569, Z=14 E=99.775 f1=-4.65499 f2=1.07721, Z=14 E=99.826 f1=-4.76959 f2=1.37513, Z=14 E=99.851 f1=-4.79109 f2=1.52203, Z=14 E=99.875 f1=-4.78699 f2=1.65993, Z=14 E=99.899 f1=-4.76674 f2=1.77995, Z=14 E=99.926 f1=-4.73984 f2=1.87968, Z=14 E=99.951 f1=-4.72571 f2=1.97448, Z=14 E=99.974 f1=-4.69897 f2=2.05815, Z=14 E=100.0 f1=-4.67405 f2=2.13311, Z=14 E=100.03 f1=-4.6549 f2=2.20171, Z=14 E=100.12 f1=-4.60024 f2=2.41667, Z=14 E=100.18 f1=-4.60059 f2=2.49729, Z=14 E=100.22 f1=-4.62085 f2=2.58505, Z=14 E=100.25 f1=-4.6451 f2=2.62089, Z=14 E=100.28 f1=-4.70275 f2=2.67241, Z=14 E=100.3 f1=-4.73916 f2=2.73072, Z=14 E=100.35 f1=-4.82406 f2=2.9136, Z=14 E=100.38 f1=-4.87754 f2=3.01959, Z=14 E=100.45 f1=-4.89461 f2=3.39622, Z=14 E=100.48 f1=-4.89177 f2=3.52655, Z=14 E=100.5 f1=-4.87133 f2=3.64732, Z=14 E=100.55 f1=-4.80557 f2=3.86847, Z=14 E=100.6 f1=-4.71048 f2=4.10668, Z=14 E=100.62 f1=-4.63514 f2=4.23678, Z=14 E=100.68 f1=-4.54337 f2=4.36464, Z=14 E=100.7 f1=-4.48607 f2=4.49509, Z=14 E=100.75 f1=-4.33702 f2=4.75764, Z=14 E=100.77 f1=-4.23325 f2=4.85961, Z=14 E=100.8 f1=-4.07337 f2=4.94637, Z=14 E=100.85 f1=-3.81798 f2=5.0743, Z=14 E=100.9 f1=-3.56548 f2=5.12335, Z=14 E=101.0 f1=-3.15785 f2=5.13032, Z=14 E=101.02 f1=-3.08861 f2=5.12048, Z=14 E=101.25 f1=-2.521 f2=5.15904, Z=14 E=101.32 f1=-2.30405 f2=5.19959, Z=14 E=101.38 f1=-2.08534 f2=5.20146, Z=14 E=101.4 f1=-2.00971 f2=5.18989, Z=14 E=101.45 f1=-1.8127 f2=5.13442, Z=14 E=101.5 f1=-1.65152 f2=5.02977, Z=14 E=101.6 f1=-1.41105 f2=4.78618, Z=14 E=101.63 f1=-1.36359 f2=4.72648, Z=14 E=101.65 f1=-1.35292 f2=4.65861, Z=14 E=101.75 f1=-1.25455 f2=4.44125, Z=14 E=101.82 f1=-1.21389 f2=4.30165, Z=14 E=101.88 f1=-1.19458 f2=4.1862, Z=14 E=101.9 f1=-1.20985 f2=4.13288, Z=14 E=101.95 f1=-1.20581 f2=4.0885, Z=14 E=102.0 f1=-1.19801 f2=3.97606, Z=14 E=102.03 f1=-1.2271 f2=3.9301, Z=14 E=102.05 f1=-1.24904 f2=3.89784, Z=14 E=102.1 f1=-1.28103 f2=3.86731, Z=14 E=102.15 f1=-1.3099 f2=3.80579, Z=14 E=102.18 f1=-1.33991 f2=3.78427, Z=14 E=102.25 f1=-1.397 f2=3.76802, Z=14 E=102.3 f1=-1.42608 f2=3.74849, Z=14 E=102.35 f1=-1.46728 f2=3.74261, Z=14 E=102.4 f1=-1.50309 f2=3.76084, Z=14 E=102.45 f1=-1.52538 f2=3.79386, Z=14 E=102.53 f1=-1.50608 f2=3.87484, Z=14 E=102.55 f1=-1.48153 f2=3.89373, Z=14 E=102.6 f1=-1.42009 f2=3.90179, Z=14 E=102.65 f1=-1.36279 f2=3.88239, Z=14 E=102.7 f1=-1.3182 f2=3.83958, Z=14 E=102.78 f1=-1.29202 f2=3.76416, Z=14 E=102.88 f1=-1.29963 f2=3.67993, Z=14 E=102.95 f1=-1.32951 f2=3.64539, Z=14 E=103.0 f1=-1.34633 f2=3.63286, Z=14 E=103.12 f1=-1.36198 f2=3.65919, Z=14 E=103.2 f1=-1.32264 f2=3.65521, Z=14 E=103.28 f1=-1.27117 f2=3.62578, Z=14 E=103.32 f1=-1.25882 f2=3.57767, Z=14 E=103.35 f1=-1.242 f2=3.56029, Z=14 E=103.43 f1=-1.23327 f2=3.47903, Z=14 E=103.45 f1=-1.26147 f2=3.442, Z=14 E=103.55 f1=-1.32267 f2=3.37538, Z=14 E=103.6 f1=-1.36022 f2=3.35329, Z=14 E=103.62 f1=-1.37658 f2=3.35242, Z=14 E=103.7 f1=-1.4269 f2=3.33036, Z=14 E=103.8 f1=-1.48061 f2=3.33205, Z=14 E=103.88 f1=-1.50969 f2=3.3394, Z=14 E=104.0 f1=-1.5363 f2=3.33472, Z=14 E=104.1 f1=-1.56167 f2=3.31576, Z=14 E=104.22 f1=-1.62193 f2=3.27368, Z=14 E=104.28 f1=-1.654 f2=3.27417, Z=14 E=104.43 f1=-1.72694 f2=3.28606, Z=14 E=104.47 f1=-1.75387 f2=3.27978, Z=14 E=104.5 f1=-1.76829 f2=3.28791, Z=14 E=104.53 f1=-1.78693 f2=3.28885, Z=14 E=104.57 f1=-1.80294 f2=3.29751, Z=14 E=104.65 f1=-1.83679 f2=3.30856, Z=14 E=104.73 f1=-1.8727 f2=3.30556, Z=14 E=104.75 f1=-1.88124 f2=3.31109, Z=14 E=104.8 f1=-1.90801 f2=3.30176, Z=14 E=104.9 f1=-1.98706 f2=3.33116, Z=14 E=104.93 f1=-2.00067 f2=3.33359, Z=14 E=104.95 f1=-2.00298 f2=3.34991, Z=14 E=105.03 f1=-2.0457 f2=3.36298, Z=14 E=105.15 f1=-2.11934 f2=3.39504, Z=14 E=105.18 f1=-2.13949 f2=3.40977, Z=14 E=105.25 f1=-2.17952 f2=3.43515, Z=14 E=105.32 f1=-2.21343 f2=3.47153, Z=14 E=105.35 f1=-2.23848 f2=3.47688, Z=14 E=105.43 f1=-2.28483 f2=3.52378, Z=14 E=105.5 f1=-2.32999 f2=3.56457, Z=14 E=105.55 f1=-2.35832 f2=3.60198, Z=14 E=105.6 f1=-2.38578 f2=3.64781, Z=14 E=105.63 f1=-2.39089 f2=3.66569, Z=14 E=105.75 f1=-2.44861 f2=3.77644, Z=14 E=105.78 f1=-2.45326 f2=3.79743, Z=14 E=105.85 f1=-2.48245 f2=3.88408, Z=14 E=105.87 f1=-2.48052 f2=3.91584, Z=14 E=105.97 f1=-2.42689 f2=4.01616, Z=14 E=106.03 f1=-2.39972 f2=4.04717, Z=14 E=106.07 f1=-2.3824 f2=4.06604, Z=14 E=106.1 f1=-2.37398 f2=4.06874, Z=14 E=106.23 f1=-2.38361 f2=4.11947, Z=14 E=106.27 f1=-2.37996 f2=4.15308, Z=14 E=106.32 f1=-2.37462 f2=4.16809, Z=14 E=106.4 f1=-2.36004 f2=4.21391, Z=14 E=106.43 f1=-2.36196 f2=4.22064, Z=14 E=106.45 f1=-2.36509 f2=4.23983, Z=14 E=106.55 f1=-2.33925 f2=4.28215, Z=14 E=106.62 f1=-2.33379 f2=4.30894, Z=14 E=106.65 f1=-2.33507 f2=4.32546, Z=14 E=106.7 f1=-2.32865 f2=4.34622, Z=14 E=106.75 f1=-2.32543 f2=4.37918, Z=14 E=106.8 f1=-2.311 f2=4.39528, Z=14 E=106.87 f1=-2.30275 f2=4.43789, Z=14 E=106.92 f1=-2.28031 f2=4.45074, Z=14 E=106.97 f1=-2.27262 f2=4.47446, Z=14 E=107.0 f1=-2.25035 f2=4.47193, Z=14 E=107.15 f1=-2.24976 f2=4.52075, Z=14 E=107.17 f1=-2.23267 f2=4.52195, Z=14 E=107.2 f1=-2.22431 f2=4.5356, Z=14 E=107.28 f1=-2.22372 f2=4.53468, Z=14 E=107.3 f1=-2.22218 f2=4.54692, Z=14 E=107.32 f1=-2.21789 f2=4.54827, Z=14 E=107.35 f1=-2.21747 f2=4.55993, Z=14 E=107.4 f1=-2.22568 f2=4.56521, Z=14 E=107.42 f1=-2.21201 f2=4.58499, Z=14 E=107.5 f1=-2.21196 f2=4.60002, Z=14 E=107.53 f1=-2.21439 f2=4.60834, Z=14 E=107.55 f1=-2.21478 f2=4.62406, Z=14 E=107.58 f1=-2.20227 f2=4.6321, Z=14 E=107.6 f1=-2.20862 f2=4.62922, Z=14 E=107.62 f1=-2.19987 f2=4.64804, Z=14 E=107.67 f1=-2.19745 f2=4.66695, Z=14 E=107.73 f1=-2.18227 f2=4.67472, Z=14 E=107.75 f1=-2.193 f2=4.68717, Z=14 E=107.85 f1=-2.17068 f2=4.70239, Z=14 E=107.88 f1=-2.18424 f2=4.71832, Z=14 E=107.93 f1=-2.18294 f2=4.73505, Z=14 E=107.95 f1=-2.19199 f2=4.75539, Z=14 E=108.07 f1=-2.15772 f2=4.7966, Z=14 E=108.22 f1=-2.13084 f2=4.82955, Z=14 E=108.28 f1=-2.1124 f2=4.85593, Z=14 E=108.42 f1=-2.08897 f2=4.88059, Z=14 E=108.45 f1=-2.08958 f2=4.88346, Z=14 E=108.52 f1=-2.07611 f2=4.9132, Z=14 E=108.57 f1=-2.06068 f2=4.91793, Z=14 E=108.6 f1=-2.05985 f2=4.93016, Z=14 E=108.73 f1=-2.02793 f2=4.92866, Z=14 E=108.83 f1=-2.03087 f2=4.94162, Z=14 E=108.9 f1=-2.01993 f2=4.96783, Z=14 E=109.0 f1=-1.99875 f2=4.97239, Z=14 E=109.03 f1=-1.99361 f2=4.97267, Z=14 E=109.07 f1=-1.99579 f2=4.95935, Z=14 E=109.12 f1=-2.00066 f2=4.97576, Z=14 E=109.2 f1=-2.00421 f2=4.98276, Z=14 E=109.25 f1=-1.99981 f2=4.99897, Z=14 E=109.27 f1=-1.98698 f2=4.98829, Z=14 E=109.35 f1=-2.00603 f2=4.99135, Z=14 E=109.38 f1=-2.0085 f2=4.98316, Z=14 E=109.4 f1=-2.01211 f2=4.99342, Z=14 E=109.43 f1=-2.02183 f2=4.98967, Z=14 E=109.45 f1=-2.01515 f2=5.00593, Z=14 E=109.53 f1=-2.04292 f2=5.0158, Z=14 E=109.55 f1=-2.03376 f2=5.03141, Z=14 E=109.57 f1=-2.03838 f2=5.02656, Z=14 E=109.6 f1=-2.03677 f2=5.04483, Z=14 E=109.62 f1=-2.03705 f2=5.03873, Z=14 E=109.67 f1=-2.02773 f2=5.05325, Z=14 E=109.8 f1=-2.05572 f2=5.08673, Z=14 E=109.97 f1=-2.05841 f2=5.1222, Z=14 E=110.0 f1=-2.08477 f2=5.13791, Z=14 E=110.5 f1=-2.08318 f2=5.28267, Z=14 E=111.0 f1=-2.07105 f2=5.45779, Z=14 E=111.5 f1=-2.02987 f2=5.61544, Z=14 E=112.5 f1=-1.94845 f2=5.85909, Z=14 E=114.0 f1=-1.92517 f2=6.1645, Z=14 E=114.5 f1=-1.96395 f2=6.33338, Z=14 E=115.0 f1=-1.98987 f2=6.51862, Z=14 E=115.5 f1=-1.9632 f2=6.72312, Z=14 E=117.0 f1=-1.77809 f2=7.40254, Z=14 E=117.5 f1=-1.61173 f2=7.59488, Z=14 E=118.0 f1=-1.45934 f2=7.7718, Z=14 E=118.5 f1=-1.28616 f2=7.87553, Z=14 E=119.0 f1=-1.13984 f2=8.02234, Z=14 E=119.5 f1=-0.959918 f2=8.05843, Z=14 E=121.433 f1=-0.578394 f2=8.42371, Z=14 E=121.5 f1=-0.573231 f2=8.4366, Z=14 E=122.0 f1=-0.405651 f2=8.51447, Z=14 E=123.5 f1=-0.0264126 f2=8.67192, Z=14 E=124.0 f1=0.0779155 f2=8.69958, Z=14 E=124.5 f1=0.171345 f2=8.77704, Z=14 E=125.0 f1=0.293945 f2=8.78726, Z=14 E=127.0 f1=0.572464 f2=9.00076, Z=14 E=127.5 f1=0.671836 f2=9.04215, Z=14 E=128.5 f1=0.827038 f2=9.19455, Z=14 E=129.5 f1=0.995074 f2=9.33439, Z=14 E=130.0 f1=1.11832 f2=9.43724, Z=14 E=131.5 f1=1.53131 f2=9.68832, Z=14 E=133.0 f1=2.07611 f2=9.80683, Z=14 E=133.5 f1=2.28741 f2=9.78221, Z=14 E=134.5 f1=2.61972 f2=9.60861, Z=14 E=136.0 f1=2.84736 f2=9.24827, Z=14 E=136.5 f1=2.87943 f2=9.17385, Z=14 E=137.0 f1=2.87745 f2=9.11857, Z=14 E=137.5 f1=2.85152 f2=9.03612, Z=14 E=139.5 f1=2.83348 f2=9.09883, Z=14 E=140.0 f1=2.84307 f2=9.12631, Z=14 E=140.5 f1=2.88384 f2=9.18357, Z=14 E=141.5 f1=3.0031 f2=9.19764, Z=14 E=142.0 f1=3.03093 f2=9.17508, Z=14 E=142.5 f1=3.03358 f2=9.18522, Z=14 E=143.0 f1=3.03374 f2=9.17393, Z=14 E=144.0 f1=3.03215 f2=9.32209, Z=14 E=145.0 f1=3.099 f2=9.41818, Z=14 E=145.5 f1=3.16288 f2=9.49844, Z=14 E=146.0 f1=3.22259 f2=9.51997, Z=14 E=146.5 f1=3.28049 f2=9.57995, Z=14 E=147.0 f1=3.34172 f2=9.60862, Z=14 E=147.5 f1=3.41479 f2=9.66258, Z=14 E=148.0 f1=3.48151 f2=9.6735, Z=14 E=148.5 f1=3.56199 f2=9.71113, Z=14 E=149.5 f1=3.68256 f2=9.71835, Z=14 E=150.0 f1=3.70254 f2=9.69979, Z=14 E=150.5 f1=3.68373 f2=9.74096, Z=14 E=151.0 f1=3.69207 f2=9.8471, Z=14 E=151.5 f1=3.76904 f2=10.0037, Z=14 E=152.0 f1=3.949 f2=10.118, Z=14 E=152.5 f1=4.15147 f2=10.1431, Z=14 E=153.5 f1=4.47402 f2=9.96424, Z=14 E=154.5 f1=4.52214 f2=9.69132, Z=14 E=155.0 f1=4.47788 f2=9.64167, Z=14 E=155.5 f1=4.41664 f2=9.63644, Z=14 E=156.0 f1=4.38177 f2=9.66128, Z=14 E=156.5 f1=4.35929 f2=9.73288, Z=14 E=157.5 f1=4.3902 f2=9.79855, Z=14 E=158.0 f1=4.36737 f2=9.87036, Z=14 E=158.5 f1=4.42951 f2=9.99628, Z=14 E=159.0 f1=4.48663 f2=9.99841, Z=14 E=160.0 f1=4.57954 f2=10.1071, Z=14 E=162.5 f1=4.84589 f2=10.5019, Z=14 E=163.5 f1=5.05409 f2=10.6336, Z=14 E=164.5 f1=5.27583 f2=10.7324, Z=14 E=165.5 f1=5.50795 f2=10.7656, Z=14 E=166.5 f1=5.73389 f2=10.8239, Z=14 E=167.0 f1=5.79695 f2=10.78, Z=14 E=167.5 f1=5.86489 f2=10.9015, Z=14 E=169.0 f1=6.35522 f2=10.952, Z=14 E=170.0 f1=6.66644 f2=10.921, Z=14 E=171.5 f1=7.13398 f2=10.7554, Z=14 E=172.0 f1=7.24279 f2=10.5495, Z=14 E=172.5 f1=7.29281 f2=10.5369, Z=14 E=173.0 f1=7.38343 f2=10.4391, Z=14 E=173.5 f1=7.52303 f2=10.4208, Z=14 E=174.0 f1=7.606 f2=10.1923, Z=14 E=174.5 f1=7.64212 f2=10.1249, Z=14 E=175.0 f1=7.66842 f2=9.98038, Z=14 E=176.0 f1=7.68591 f2=9.82584, Z=14 E=176.5 f1=7.67332 f2=9.72546, Z=14 E=177.0 f1=7.68563 f2=9.66145, Z=14 E=178.0 f1=7.67511 f2=9.60542, Z=14 E=178.5 f1=7.6974 f2=9.51565, Z=14 E=179.0 f1=7.64095 f2=9.49283, Z=14 E=179.5 f1=7.63925 f2=9.43704, Z=14 E=179.99 f1=7.55398 f2=9.49765, Z=14 E=182.901 f1=7.85149 f2=9.42072, Z=14 E=185.859 f1=7.94847 f2=9.34442, Z=14 E=188.866 f1=8.10574 f2=9.2664, Z=14 E=191.92 f1=8.27005 f2=9.17918, Z=14 E=195.025 f1=8.43202 f2=9.09278, Z=14 E=198.179 f1=8.59128 f2=9.00719, Z=14 E=201.384 f1=8.74251 f2=8.92241, Z=14 E=204.641 f1=8.88646 f2=8.8501, Z=14 E=207.951 f1=9.0396 f2=8.78533, Z=14 E=211.315 f1=9.19861 f2=8.72104, Z=14 E=214.733 f1=9.36085 f2=8.65722, Z=14 E=218.206 f1=9.53668 f2=8.59386, Z=14 E=221.735 f1=9.72509 f2=8.52313, Z=14 E=225.322 f1=9.90451 f2=8.41115, Z=14 E=228.966 f1=10.0644 f2=8.30065, Z=14 E=232.669 f1=10.2142 f2=8.19159, Z=14 E=236.432 f1=10.3574 f2=8.08397, Z=14 E=240.257 f1=10.4958 f2=7.97776, Z=14 E=244.143 f1=10.6314 f2=7.87295, Z=14 E=248.091 f1=10.7716 f2=7.76952, Z=14 E=252.104 f1=10.9063 f2=7.65024, Z=14 E=256.182 f1=11.0283 f2=7.53005, Z=14 E=260.325 f1=11.1426 f2=7.41174, Z=14 E=264.536 f1=11.2509 f2=7.29529, Z=14 E=268.814 f1=11.3543 f2=7.18067, Z=14 E=273.162 f1=11.4535 f2=7.06784, Z=14 E=277.58 f1=11.5489 f2=6.9568, Z=14 E=282.07 f1=11.6411 f2=6.8475, Z=14 E=286.632 f1=11.7306 f2=6.73991, Z=14 E=291.268 f1=11.8181 f2=6.63402, Z=14 E=295.979 f1=11.9057 f2=6.52979, Z=14 E=300.767 f1=11.9918 f2=6.42157, Z=14 E=305.631 f1=12.0733 f2=6.31071, Z=14 E=310.575 f1=12.1486 f2=6.20175, Z=14 E=315.598 f1=12.2203 f2=6.09469, Z=14 E=320.702 f1=12.2889 f2=5.98947, Z=14 E=325.89 f1=12.3551 f2=5.88607, Z=14 E=331.161 f1=12.4191 f2=5.78445, Z=14 E=336.517 f1=12.4812 f2=5.68459, Z=14 E=341.96 f1=12.542 f2=5.58645, Z=14 E=347.491 f1=12.6018 f2=5.49, Z=14 E=353.111 f1=12.6614 f2=5.39523, Z=14 E=358.822 f1=12.7222 f2=5.30208, Z=14 E=364.626 f1=12.7889 f2=5.21055, Z=14 E=370.523 f1=12.8576 f2=5.10056, Z=14 E=376.516 f1=12.9142 f2=4.98768, Z=14 E=382.606 f1=12.9608 f2=4.87731, Z=14 E=388.795 f1=13.0027 f2=4.76937, Z=14 E=395.083 f1=13.0407 f2=4.66382, Z=14 E=401.473 f1=13.0753 f2=4.56061, Z=14 E=407.967 f1=13.1069 f2=4.45967, Z=14 E=414.565 f1=13.136 f2=4.36098, Z=14 E=421.27 f1=13.1628 f2=4.26447, Z=14 E=428.084 f1=13.1876 f2=4.17009, Z=14 E=435.008 f1=13.2107 f2=4.07781, Z=14 E=442.044 f1=13.2322 f2=3.98756, Z=14 E=449.194 f1=13.2527 f2=3.89931, Z=14 E=456.459 f1=13.2727 f2=3.81302, Z=14 E=463.842 f1=13.2933 f2=3.72727, Z=14 E=471.344 f1=13.3117 f2=3.63809, Z=14 E=478.968 f1=13.326 f2=3.55105, Z=14 E=486.715 f1=13.3375 f2=3.46608, Z=14 E=494.587 f1=13.3472 f2=3.38316, Z=14 E=502.587 f1=13.3552 f2=3.30221, Z=14 E=510.715 f1=13.3617 f2=3.2232, Z=14 E=518.976 f1=13.367 f2=3.14609, Z=14 E=527.37 f1=13.3711 f2=3.07081, Z=14 E=535.9 f1=13.3742 f2=2.99734, Z=14 E=544.567 f1=13.3764 f2=2.92563, Z=14 E=553.375 f1=13.3779 f2=2.85563, Z=14 E=562.326 f1=13.3789 f2=2.7873, Z=14 E=571.421 f1=13.3797 f2=2.72061, Z=14 E=580.663 f1=13.3815 f2=2.65552, Z=14 E=590.055 f1=13.3832 f2=2.58813, Z=14 E=599.599 f1=13.3823 f2=2.52006, Z=14 E=609.297 f1=13.3786 f2=2.45378, Z=14 E=619.151 f1=13.3731 f2=2.38925, Z=14 E=629.166 f1=13.3663 f2=2.32641, Z=14 E=639.342 f1=13.3582 f2=2.26522, Z=14 E=649.683 f1=13.3491 f2=2.20565, Z=14 E=660.191 f1=13.339 f2=2.14764, Z=14 E=670.869 f1=13.3278 f2=2.09115, Z=14 E=681.72 f1=13.3158 f2=2.03616, Z=14 E=692.746 f1=13.3006 f2=1.98261, Z=14 E=703.951 f1=13.2845 f2=1.93392, Z=14 E=715.336 f1=13.2706 f2=1.88812, Z=14 E=726.906 f1=13.2578 f2=1.84339, Z=14 E=738.664 f1=13.2453 f2=1.79973, Z=14 E=750.611 f1=13.2332 f2=1.7571, Z=14 E=762.751 f1=13.2215 f2=1.71548, Z=14 E=775.088 f1=13.2102 f2=1.67484, Z=14 E=787.625 f1=13.1996 f2=1.63517, Z=14 E=800.364 f1=13.1912 f2=1.59508, Z=14 E=813.309 f1=13.1807 f2=1.55256, Z=14 E=826.464 f1=13.1685 f2=1.51118, Z=14 E=839.831 f1=13.1555 f2=1.47089, Z=14 E=853.415 f1=13.1418 f2=1.43168, Z=14 E=867.218 f1=13.1278 f2=1.39352, Z=14 E=881.245 f1=13.1136 f2=1.35637, Z=14 E=895.498 f1=13.1001 f2=1.32021, Z=14 E=909.982 f1=13.0874 f2=1.28196, Z=14 E=924.7 f1=13.0717 f2=1.24308, Z=14 E=939.656 f1=13.0542 f2=1.20538, Z=14 E=954.855 f1=13.0353 f2=1.16882, Z=14 E=970.299 f1=13.0154 f2=1.13337, Z=14 E=985.992 f1=12.9946 f2=1.09899, Z=14 E=1001.94 f1=12.9729 f2=1.06561, Z=14 E=1018.15 f1=12.9502 f2=1.03318, Z=14 E=1034.61 f1=12.9266 f2=1.00174, Z=14 E=1051.35 f1=12.902 f2=0.971249, Z=14 E=1068.35 f1=12.8761 f2=0.941688, Z=14 E=1085.63 f1=12.8487 f2=0.913028, Z=14 E=1103.19 f1=12.8192 f2=0.887547, Z=14 E=1121.03 f1=12.7911 f2=0.864407, Z=14 E=1139.17 f1=12.7632 f2=0.841817, Z=14 E=1157.59 f1=12.735 f2=0.819826, Z=14 E=1176.31 f1=12.7063 f2=0.798411, Z=14 E=1195.34 f1=12.6771 f2=0.777531, Z=14 E=1214.67 f1=12.647 f2=0.757139, Z=14 E=1234.32 f1=12.6159 f2=0.737234, Z=14 E=1254.28 f1=12.5837 f2=0.717856, Z=14 E=1274.57 f1=12.5503 f2=0.698989, Z=14 E=1295.19 f1=12.5156 f2=0.680609, Z=14 E=1316.13 f1=12.4792 f2=0.662552, Z=14 E=1337.42 f1=12.4409 f2=0.644954, Z=14 E=1359.05 f1=12.4006 f2=0.627806, Z=14 E=1381.04 f1=12.3579 f2=0.611117, Z=14 E=1403.37 f1=12.3125 f2=0.594814, Z=14 E=1426.07 f1=12.264 f2=0.578892, Z=14 E=1449.14 f1=12.212 f2=0.563357, Z=14 E=1472.58 f1=12.1559 f2=0.54824, Z=14 E=1496.39 f1=12.095 f2=0.533519, Z=14 E=1520.6 f1=12.0284 f2=0.518512, Z=14 E=1545.19 f1=11.9546 f2=0.503884, Z=14 E=1570.18 f1=11.8721 f2=0.489627, Z=14 E=1595.58 f1=11.779 f2=0.475781, Z=14 E=1621.39 f1=11.6727 f2=0.462322, Z=14 E=1647.61 f1=11.5493 f2=0.44924, Z=14 E=1674.26 f1=11.4029 f2=0.436529, Z=14 E=1701.34 f1=11.2243 f2=0.42418, Z=14 E=1728.86 f1=10.9982 f2=0.412181, Z=14 E=1756.82 f1=10.6935 f2=0.399995, Z=14 E=1785.24 f1=10.2377 f2=0.388066, Z=14 E=1814.11 f1=9.37942 f2=0.3764, Z=14 E=1815.0 f1=9.33435 f2=0.376049, Z=14 E=1838.8 f1=2.82013 f2=0.366843, Z=14 E=1839.0 f1=2.82204 f2=2.26608, Z=14 E=1838.9 f1=7.96957 f2=4.15773, Z=14 E=1860.0 f1=9.34866 f2=4.09222, Z=14 E=1890.08 f1=10.4859 f2=4.00184, Z=14 E=1920.65 f1=11.1017 f2=3.9134, Z=14 E=1951.72 f1=11.5305 f2=3.82687, Z=14 E=1983.29 f1=11.8609 f2=3.74224, Z=14 E=2015.37 f1=12.1301 f2=3.65896, Z=14 E=2047.96 f1=12.3571 f2=3.57698, Z=14 E=2081.09 f1=12.5533 f2=3.49664, Z=14 E=2114.75 f1=12.7254 f2=3.41523, Z=14 E=2148.95 f1=12.8775 f2=3.33521, Z=14 E=2183.71 f1=13.0131 f2=3.25641, Z=14 E=2219.03 f1=13.135 f2=3.17868, Z=14 E=2254.92 f1=13.2452 f2=3.10245, Z=14 E=2291.39 f1=13.3453 f2=3.02741, Z=14 E=2328.45 f1=13.4369 f2=2.95359, Z=14 E=2366.11 f1=13.5205 f2=2.88121, Z=14 E=2404.38 f1=13.5972 f2=2.80993, Z=14 E=2443.27 f1=13.6676 f2=2.74011, Z=14 E=2482.79 f1=13.7324 f2=2.67152, Z=14 E=2522.95 f1=13.7921 f2=2.60424, Z=14 E=2563.75 f1=13.8472 f2=2.53844, Z=14 E=2605.22 f1=13.8981 f2=2.47374, Z=14 E=2647.36 f1=13.9449 f2=2.41045, Z=14 E=2690.18 f1=13.9882 f2=2.34854, Z=14 E=2733.69 f1=14.0282 f2=2.28769, Z=14 E=2777.9 f1=14.0651 f2=2.22827, Z=14 E=2822.83 f1=14.0991 f2=2.17014, Z=14 E=2868.49 f1=14.1305 f2=2.1132, Z=14 E=2914.89 f1=14.1594 f2=2.05756, Z=14 E=2962.03 f1=14.1859 f2=2.00307, Z=14 E=3009.94 f1=14.2104 f2=1.94988, Z=14 E=3058.62 f1=14.2329 f2=1.89788, Z=14 E=3108.09 f1=14.2535 f2=1.84703, Z=14 E=3158.37 f1=14.2723 f2=1.79742, Z=14 E=3209.45 f1=14.2894 f2=1.7489, Z=14 E=3261.36 f1=14.3051 f2=1.70154, Z=14 E=3314.11 f1=14.3194 f2=1.65534, Z=14 E=3367.71 f1=14.3322 f2=1.61015, Z=14 E=3422.18 f1=14.3438 f2=1.56612, Z=14 E=3477.53 f1=14.3542 f2=1.52314, Z=14 E=3533.78 f1=14.3635 f2=1.48119, Z=14 E=3590.94 f1=14.3718 f2=1.44032, Z=14 E=3649.02 f1=14.3791 f2=1.40039, Z=14 E=3708.04 f1=14.3855 f2=1.36149, Z=14 E=3768.01 f1=14.391 f2=1.32359, Z=14 E=3828.96 f1=14.3957 f2=1.28658, Z=14 E=3890.89 f1=14.3997 f2=1.25056, Z=14 E=3953.82 f1=14.4029 f2=1.21543, Z=14 E=4017.77 f1=14.4055 f2=1.1812, Z=14 E=4082.75 f1=14.4075 f2=1.14788, Z=14 E=4148.79 f1=14.4089 f2=1.11537, Z=14 E=4215.89 f1=14.4097 f2=1.08375, Z=14 E=4284.08 f1=14.4101 f2=1.05295, Z=14 E=4353.37 f1=14.41 f2=1.02294, Z=14 E=4423.78 f1=14.4094 f2=0.993744, Z=14 E=4495.33 f1=14.4085 f2=0.965295, Z=14 E=4568.04 f1=14.4071 f2=0.937606, Z=14 E=4641.93 f1=14.4054 f2=0.910663, Z=14 E=4717.01 f1=14.4034 f2=0.884415, Z=14 E=4793.3 f1=14.4011 f2=0.858896, Z=14 E=4870.83 f1=14.3984 f2=0.834074, Z=14 E=4949.61 f1=14.3956 f2=0.809917, Z=14 E=5029.67 f1=14.3925 f2=0.786429, Z=14 E=5111.02 f1=14.3891 f2=0.763535, Z=14 E=5193.68 f1=14.3856 f2=0.741289, Z=14 E=5277.69 f1=14.3818 f2=0.719672, Z=14 E=5363.05 f1=14.3779 f2=0.698635, Z=14 E=5449.79 f1=14.3739 f2=0.678189, Z=14 E=5537.94 f1=14.3697 f2=0.658294, Z=14 E=5627.51 f1=14.3654 f2=0.63895, Z=14 E=5718.53 f1=14.3609 f2=0.620147, Z=14 E=5811.02 f1=14.3564 f2=0.601873, Z=14 E=5905.01 f1=14.3517 f2=0.584116, Z=14 E=6000.52 f1=14.347 f2=0.566843, Z=14 E=6097.57 f1=14.3422 f2=0.550055, Z=14 E=6196.2 f1=14.3374 f2=0.533751, Z=14 E=6296.42 f1=14.3325 f2=0.517913, Z=14 E=6349.0 f1=14.33 f2=0.509889, Z=14 E=6432.0 f1=14.3259 f2=0.497536, Z=14 E=6536.03 f1=14.3209 f2=0.482727, Z=14 E=6641.75 f1=14.3159 f2=0.468336, Z=14 E=6749.17 f1=14.3109 f2=0.454339, Z=14 E=6858.33 f1=14.3059 f2=0.440746, Z=14 E=6969.26 f1=14.3008 f2=0.42755, Z=14 E=7081.98 f1=14.2958 f2=0.414725, Z=14 E=7196.53 f1=14.2907 f2=0.402271, Z=14 E=7312.93 f1=14.2857 f2=0.390179, Z=14 E=7431.21 f1=14.2806 f2=0.378427, Z=14 E=7551.4 f1=14.2756 f2=0.36702, Z=14 E=7673.54 f1=14.2706 f2=0.355946, Z=14 E=7797.65 f1=14.2657 f2=0.345189, Z=14 E=7923.77 f1=14.2607 f2=0.334747, Z=14 E=8051.94 f1=14.2558 f2=0.324605, Z=14 E=8182.17 f1=14.251 f2=0.314762, Z=14 E=8314.51 f1=14.2461 f2=0.305207, Z=14 E=8448.99 f1=14.2414 f2=0.295929, Z=14 E=8585.64 f1=14.2366 f2=0.286926, Z=14 E=8724.51 f1=14.2319 f2=0.278183, Z=14 E=8865.62 f1=14.2273 f2=0.269697, Z=14 E=9009.02 f1=14.2227 f2=0.261465, Z=14 E=9154.73 f1=14.2181 f2=0.253469, Z=14 E=9302.8 f1=14.2136 f2=0.245713, Z=14 E=9453.27 f1=14.2091 f2=0.238188, Z=14 E=9606.17 f1=14.2047 f2=0.23088, Z=14 E=9761.54 f1=14.2004 f2=0.22379, Z=14 E=9919.42 f1=14.1961 f2=0.216911, Z=14 E=10079.9 f1=14.1919 f2=0.210235, Z=14 E=10242.9 f1=14.1877 f2=0.203758, Z=14 E=10408.6 f1=14.1836 f2=0.197474, Z=14 E=10576.9 f1=14.1795 f2=0.191376, Z=14 E=10748.0 f1=14.1756 f2=0.185461, Z=14 E=10921.8 f1=14.1716 f2=0.179721, Z=14 E=11098.5 f1=14.1677 f2=0.174154, Z=14 E=11278.0 f1=14.1639 f2=0.168752, Z=14 E=11460.4 f1=14.1602 f2=0.163513, Z=14 E=11645.8 f1=14.1565 f2=0.15843, Z=14 E=11834.1 f1=14.1528 f2=0.1535, Z=14 E=12025.5 f1=14.1492 f2=0.148717, Z=14 E=12220.0 f1=14.1457 f2=0.144079, Z=14 E=12417.7 f1=14.1423 f2=0.13958, Z=14 E=12618.5 f1=14.1389 f2=0.135216, Z=14 E=12822.6 f1=14.1355 f2=0.130984, Z=14 E=13030.0 f1=14.1322 f2=0.126879, Z=14 E=13240.8 f1=14.129 f2=0.122899, Z=14 E=13454.9 f1=14.1258 f2=0.119038, Z=14 E=13672.6 f1=14.1227 f2=0.115294, Z=14 E=13893.7 f1=14.1197 f2=0.111664, Z=14 E=14118.4 f1=14.1167 f2=0.108143, Z=14 E=14346.8 f1=14.1137 f2=0.10473, Z=14 E=14578.8 f1=14.1108 f2=0.101419, Z=14 E=14814.6 f1=14.108 f2=0.0982093, Z=14 E=15054.2 f1=14.1052 f2=0.0950968, Z=14 E=15297.7 f1=14.1025 f2=0.092079, Z=14 E=15545.2 f1=14.0998 f2=0.089153, Z=14 E=15796.6 f1=14.0972 f2=0.086316, Z=14 E=16052.1 f1=14.0946 f2=0.0835654, Z=14 E=16311.7 f1=14.0921 f2=0.0808987, Z=14 E=16575.5 f1=14.0896 f2=0.0783132, Z=14 E=16843.6 f1=14.0872 f2=0.0758067, Z=14 E=17116.1 f1=14.0848 f2=0.0733767, Z=14 E=17392.9 f1=14.0825 f2=0.071021, Z=14 E=17674.2 f1=14.0802 f2=0.0687373, Z=14 E=17960.1 f1=14.078 f2=0.0665234, Z=14 E=18250.6 f1=14.0758 f2=0.0643773, Z=14 E=18545.8 f1=14.0736 f2=0.062297, Z=14 E=18845.7 f1=14.0715 f2=0.0602804, Z=14 E=19150.5 f1=14.0695 f2=0.0583256, Z=14 E=19460.3 f1=14.0675 f2=0.0564308, Z=14 E=19775.0 f1=14.0655 f2=0.0545942, Z=14 E=20094.9 f1=14.0636 f2=0.0528124, Z=14 E=20419.9 f1=14.0617 f2=0.0510884, Z=14 E=20750.2 f1=14.0598 f2=0.0494193, Z=14 E=21085.8 f1=14.058 f2=0.0478034, Z=14 E=21426.8 f1=14.0562 f2=0.046239, Z=14 E=21773.4 f1=14.0545 f2=0.0447245, Z=14 E=22125.6 f1=14.0528 f2=0.0432583, Z=14 E=22483.4 f1=14.0511 f2=0.041839, Z=14 E=22847.1 f1=14.0495 f2=0.040465, Z=14 E=23216.6 f1=14.0479 f2=0.0391349, Z=14 E=23592.1 f1=14.0463 f2=0.0378475, Z=14 E=23973.7 f1=14.0448 f2=0.0366013, Z=14 E=24361.5 f1=14.0433 f2=0.035395, Z=14 E=24755.5 f1=14.0419 f2=0.0342274, Z=14 E=25155.9 f1=14.0405 f2=0.0330973, Z=14 E=25562.8 f1=14.0391 f2=0.0320035, Z=14 E=25976.2 f1=14.0377 f2=0.0309448, Z=14 E=26396.4 f1=14.0364 f2=0.0299202, Z=14 E=26823.3 f1=14.0351 f2=0.0289286, Z=14 E=27257.2 f1=14.0338 f2=0.027969, Z=14 E=27698.0 f1=14.0326 f2=0.0270403, Z=14 E=28146.0 f1=14.0314 f2=0.0261415, Z=14 E=28601.3 f1=14.0302 f2=0.0252718, Z=14 E=29063.9 f1=14.0291 f2=0.0244301, Z=14 E=29533.9 f1=14.0279 f2=0.0236157, Z=14 E=30000.0 f1=14.0269 f2=0.0228464],
        screening_constants=[<ScreeningConstant(Z=  14, n=  1, s=s, screening=    0.4255)>, <ScreeningConstant(Z=  14, n=  2, s=p, screening=    4.0550)>, <ScreeningConstant(Z=  14, n=  2, s=s, screening=    4.9800)>, <ScreeningConstant(Z=  14, n=  3, s=p, screening=    9.7148)>, <ScreeningConstant(Z=  14, n=  3, s=s, screening=    9.0968)>],
        sources='Makes up major portion of clay, granite, quartz (SiO2), and sand. Commercial production depends on a reaction between sand (SiO2) and carbon at a temperature of around 2200 °C.',
        specific_heat_capacity=0.712,
        substitutability=None,
        symbol='Si',
        thermal_conductivity=149.0,
        top_3_producers=None,
        top_3_reserve_holders=None,
        uses='Used in glass as silicon dioxide (SiO2). Silicon carbide (SiC) is one of the hardest substances known and used in polishing. Also the crystalline form is used in semiconductors.',
        vdw_radius=210.0,
        vdw_radius_alvarez=219.0,
        vdw_radius_batsanov=210.0,
        vdw_radius_bondi=210.0,
        vdw_radius_dreiding=426.99999999999994,
        vdw_radius_mm3=229.0,
        vdw_radius_rt=None,
        vdw_radius_truhlar=None,
        vdw_radius_uff=429.5,
)

Similarly to access the data by atomic number or element names type

[5]:

al = element(13)
print(al.name)

Aluminum

[6]:

o = element("Oxygen")
print(o.atomic_number)

Getting list of elements¶

The element method also accepts list or tuple of identifiers and then returns a list of Element objects

[7]:

c, h, o = element(["C", "Hydrogen", 8])
print(c.name, h.name, o.name)

Carbon Hydrogen Oxygen

Extended attributes¶

Next to simple attributes returning str, int or float, there are extended attributes

oxistates, returns a list of oxidation states
ionenergies, returns a dictionary of ionization energies
isotopes, returns a list of Isotope objects
ionic_radii returns a list of IonicRadius objects
ec, electronic configuration object

Oxidation states¶

oxistates returns a list of most common oxidation states for a given element

[8]:

fe = element("Fe")
print(fe.oxistates)

[2, 3]

Ionization energies¶

The ionenergies returns a dictionary with ionization energies in eV as values and degrees of ionization as keys

[9]:

o = element("O")
o.ionenergies

[9]:

{1: 13.618055,
 2: 35.12112,
 3: 54.93554,
 4: 77.4135,
 5: 113.899,
 6: 138.1189,
 7: 739.32697,
 8: 871.4099138}

Isotopes¶

The isotopes attribute returns a list of Isotope objects with the following attributes per isotope

abundance
abundance_uncertainty
atomic_number
discovery_year
g_factor
g_factor_uncertainty
half_life
half_life_uncertainty
half_life_unit
is_radioactive
mass
mass_number
mass_uncertainty
parity
quadrupole_moment
quadrupole_moment_uncertainty
spin

[10]:

print(
    "{0:^4s} {1:^4s} {2:^10s} {3:8s} {4:6s} {5:5s}\n{6}".format(
        "AN", "MN", "Mass", "Unc.", "Abu.", "Rad.", "-" * 42
    )
)
for iso in fe.isotopes:
    print(
        "{0:4d} {1:4d} {2:10.5f} {3:8.2e} {4:} {5:}".format(
            iso.atomic_number,
            iso.mass_number,
            iso.mass,
            iso.mass_uncertainty,
            iso.abundance,
            iso.is_radioactive,
        )
    )

 AN   MN     Mass    Unc.     Abu.   Rad.
------------------------------------------
  26   45   45.01547 3.04e-04 None True
  26   46   46.00130 3.22e-04 None True
  26   47   46.99235 5.37e-04 None True
  26   48   47.98067 9.90e-05 None True
  26   49   48.97343 2.60e-05 None True
  26   50   49.96299 9.00e-06 None True
  26   51   50.95686 1.50e-06 None True
  26   52   51.94811 1.92e-07 None True
  26   53   52.94531 1.79e-06 None True
  26   54   53.93961 3.68e-07 5.845 False
  26   55   54.93829 3.30e-07 None True
  26   56   55.93494 2.87e-07 91.754 False
  26   57   56.93539 2.87e-07 2.119 False
  26   58   57.93327 3.39e-07 0.282 False
  26   59   58.93487 3.54e-07 None True
  26   60   59.93407 3.66e-06 None True
  26   61   60.93675 2.80e-06 None True
  26   62   61.93679 3.00e-06 None True
  26   63   62.94027 4.62e-06 None True
  26   64   63.94099 5.39e-06 None True
  26   65   64.94502 5.49e-06 None True
  26   66   65.94625 4.40e-06 None True
  26   67   66.95093 4.10e-06 None True
  26   68   67.95288 2.07e-04 None True
  26   69   68.95792 2.15e-04 None True
  26   70   69.96040 3.22e-04 None True
  26   71   70.96572 4.29e-04 None True
  26   72   71.96860 5.37e-04 None True
  26   73   72.97425 5.37e-04 None True
  26   74   73.97782 5.37e-04 None True
  26   75   74.98422 6.44e-04 None True
  26   76   75.98863 6.44e-04 None True

Accessing isotopes¶

Similarly to element function that can be used to fetch specific isotopes by:

atomic_number and mass_number or
symbol and mass_number

[11]:

from mendeleev import isotope

[12]:

isotope("Fe", mass_number=57)

[12]:

<Isotope(Z=26, A=57, mass=56.9353920(3), abundance=2.12(3))>

[13]:

# tritium
isotope(1, 3)

[13]:

<Isotope(Z=1, A=3, mass=3.01604928132(8), abundance=None)>

Radioactive isotopes can have multiple decay modes and that data is available as decay_modes attrobute for each Isotope

[14]:

isotope("Li", 11).decay_modes

[14]:

[<IsotopeDecayMode(id=40, isotope_id=39, mode='B-', intensity=100.0)>,
 <IsotopeDecayMode(id=41, isotope_id=39, mode='B-n', intensity=86.3)>,
 <IsotopeDecayMode(id=42, isotope_id=39, mode='2n', intensity=4.1)>,
 <IsotopeDecayMode(id=43, isotope_id=39, mode='3n', intensity=1.9)>,
 <IsotopeDecayMode(id=44, isotope_id=39, mode='B-A', intensity=1.7)>,
 <IsotopeDecayMode(id=45, isotope_id=39, mode='B-d', intensity=0.013)>,
 <IsotopeDecayMode(id=46, isotope_id=39, mode='B-t', intensity=0.0093)>]

Ionic radii¶

Another composite attribute is ionic_radii which returns a list of IonicRadius object with the following attributes

atomic_number, atomic number of the ion
charge, charge of the ion
econf, electronic configuration of the ion
coordination, coordination type of the ion
spin, spin state of the ion (HS or LS)
crystal_radius, crystal radius in pm
ionic_radius, ionic radius in pm
origin, source of the data
most_reliable, recommended value, (see the original paper for more information)

[15]:

for ir in fe.ionic_radii:
    print(ir)

charge=   2, coordination=IV   , crystal_radius=77.000, ionic_radius=63.000
charge=   2, coordination=IVSQ , crystal_radius=78.000, ionic_radius=64.000
charge=   2, coordination=VI   , crystal_radius=75.000, ionic_radius=61.000
charge=   2, coordination=VI   , crystal_radius=92.000, ionic_radius=78.000
charge=   2, coordination=VIII , crystal_radius=106.000, ionic_radius=92.000
charge=   3, coordination=IV   , crystal_radius=63.000, ionic_radius=49.000
charge=   3, coordination=V    , crystal_radius=72.000, ionic_radius=58.000
charge=   3, coordination=VI   , crystal_radius=69.000, ionic_radius=55.000
charge=   3, coordination=VI   , crystal_radius=78.500, ionic_radius=64.500
charge=   3, coordination=VIII , crystal_radius=92.000, ionic_radius=78.000
charge=   4, coordination=VI   , crystal_radius=72.500, ionic_radius=58.500
charge=   6, coordination=IV   , crystal_radius=39.000, ionic_radius=25.000

Useful functions for calculating properties¶

Next to stored attributes there is a number of useful functions

[16]:

si = element("Si")

[17]:

# get the number of valence electrons
si.nvalence()

[17]:

[18]:

# calculate softness for an ion
si.softness(charge=2)

[18]:

0.05831872935152488

[19]:

# calcualte hardness for an ion
si.hardness(charge=4)

[19]:

60.812605

[20]:

# calculate the effective nuclear charge for a subshell using Slater's rules
si.zeff(n=3, o="s")

[20]:

4.149999999999999

[21]:

# calculate the effective nuclear charge for a subshell using Clemneti's and Raimondi's exponents
si.zeff(n=3, o="s", method="clementi")

[21]:

4.9032

Electronegativity¶

Currently there are 9 electronagativity scales implemented that can me accessed though the common electronegativity method, the scales are:

allen
allred-rochow
cottrell-sutton
ghosh
gordy
li-xue
martynov-batsanov
mulliken
nagle
pauling
sanderson

More information can be found in the documentation.

[22]:

si.electronegativity(scale="pauling")

[22]:

1.9

[23]:

si.electronegativity(scale="allen")

[23]:

11.33

[24]:

# calculate mulliken electronegativity for a neutral atom or ion
si.electronegativity(scale="mulliken", charge=1)

[24]:

12.248764999999999