Data¶
To find out how to fetch data in bulk, check out the documentation about data access.
Elements¶
The following data are currently available:
Name |
Type |
Comment |
Unit |
Data Source |
---|---|---|---|---|
abundance_crust |
float |
Abundance in the Earth’s crust |
mg/kg |
[23] |
abundance_sea |
float |
Abundance in the seas |
mg/L |
[23] |
annotation |
str |
Annotations regarding the data |
||
atomic_number |
int |
Atomic number |
||
atomic_radius |
float |
Atomic radius |
pm |
[53] |
atomic_radius_rahm |
float |
Atomic radius by Rahm et al. |
pm |
|
atomic_volume |
float |
Atomic volume |
cm3/mol |
|
atomic_weight |
float |
Atomic weight([1]) |
||
atomic_weight_uncertainty |
float |
Atomic weight uncertainty([1]) |
||
block |
str |
Block in periodic table |
||
boiling_point |
float |
Boiling temperature |
K |
[22] |
c6 |
float |
C_6 dispersion coefficient in a.u. |
a.u. |
|
c6_gb |
float |
C_6 dispersion coefficient in a.u. (Gould & Bučko) |
a.u. |
[21] |
cas |
str |
Chemical Abstracts Serice identifier |
||
covalent_radius_bragg |
float |
Covalent radius by Bragg |
pm |
[10] |
covalent_radius_cordero |
float |
Covalent radius by Cerdero et al.([2]) |
pm |
[16] |
covalent_radius_pyykko |
float |
Single bond covalent radius by Pyykko et al. |
pm |
[43] |
covalent_radius_pyykko_double |
float |
Double bond covalent radius by Pyykko et al. |
pm |
[42] |
covalent_radius_pyykko_triple |
float |
Triple bond covalent radius by Pyykko et al. |
pm |
[44] |
cpk_color |
str |
Element color in CPK convention |
HEX |
[61] |
critical_pressure |
float |
Critical pressure |
MPa |
[22] |
critical_temperature |
float |
Critical temperature |
K |
[22] |
density |
float |
Density at 295K([9]) |
g/cm3 |
|
description |
str |
Short description of the element |
||
dipole_polarizability |
float |
Dipole polarizability |
a.u. |
[51] |
dipole_polarizability_unc |
float |
Dipole polarizability uncertainty |
a.u. |
[51] |
discoverers |
str |
The discoverers of the element |
||
discovery_location |
str |
The location where the element was discovered |
||
discovery_year |
int |
The year the element was discovered |
||
electron_affinity |
float |
Electron affinity([3]) |
eV |
|
electrons |
int |
Number of electrons |
||
electrophilicity |
float |
Electrophilicity index |
eV |
[39] |
en_allen |
float |
Allen’s scale of electronegativity([4]) |
eV |
|
en_ghosh |
float |
Ghosh’s scale of electronegativity |
[18] |
|
en_mulliken |
float |
Mulliken’s scale of electronegativity |
eV |
[36] |
en_pauling |
float |
Pauling’s scale of electronegativity |
[23] |
|
econf |
str |
Ground state electron configuration |
||
evaporation_heat |
float |
Evaporation heat |
kJ/mol |
|
fusion_heat |
float |
Fusion heat |
kJ/mol |
|
gas_basicity |
float |
Gas basicity |
kJ/mol |
[23] |
geochemical_class |
str |
Geochemical classification |
[59] |
|
glawe_number |
int |
Glawe’s number (scale) |
[19] |
|
goldschmidt_class |
str |
Goldschmidt classification |
||
group |
int |
Group in periodic table |
||
heat_of_formation |
float |
Heat of formation |
kJ/mol |
[23] |
inchi |
str |
International Chemical Identifier |
[24] |
|
ionenergy |
tuple |
Ionization energies |
eV |
[26] |
ionic_radii |
list |
Ionic and crystal radii in pm([8]) |
pm |
|
is_monoisotopic |
bool |
Is the element monoisotopic |
||
is_radioactive |
bool |
Is the element radioactive |
||
isotopes |
list |
Isotopes |
||
jmol_color |
str |
Element color in Jmol convention |
HEX |
[64] |
lattice_constant |
float |
Lattice constant |
Angstrom |
|
lattice_structure |
str |
Lattice structure code |
||
mass_number |
int |
Mass number (most abundant isotope) |
||
melting_point |
float |
Melting temperature |
K |
[22] |
mendeleev_number |
int |
Mendeleev’s number([5]) |
||
metallic_radius |
float |
Single-bond metallic radius |
pm |
[1] |
metallic_radius_c12 |
float |
Metallic radius with 12 nearest neighbors |
pm |
[1] |
molar_heat_capacity |
float |
Molar heat capacity @ 25 C, 1 bar |
J/(mol K) |
[23] |
molcas_gv_color |
str |
Element color in MOCAS GV convention |
HEX |
[65] |
name |
str |
Name in English |
||
name_origin |
str |
Origin of the name |
||
neutrons |
int |
Number of neutrons (most abundant isotope) |
||
oxistates |
list |
Commonly occurring oxidation states |
[67] |
|
nist_webbook_url |
str |
URL for the NIST Chemistry WebBook |
[38] |
|
oxistates |
list |
Oxidation states |
||
period |
int |
Period in periodic table |
||
pettifor_number |
float |
Pettifor scale |
[41] |
|
proton_affinity |
float |
Proton affinity |
kJ/mol |
[23] |
protons |
int |
Number of protons |
||
sconst |
float |
Nuclear charge screening constants([6]) |
||
series |
int |
Index to chemical series |
||
sources |
str |
Sources of the element |
||
specific_heat_capacity |
float |
Specific heat capacity @ 25 C, 1 bar |
J/(g K) |
[23] |
symbol |
str |
Chemical symbol |
||
thermal_conductivity |
float |
Thermal conductivity @25 C |
W/(m K) |
|
triple_point_pressure |
float |
Triple point pressure |
kPa |
[22] |
triple_point_temperature |
float |
Triple point temperature |
K |
[22] |
uses |
str |
Applications of the element |
||
vdw_radius |
float |
Van der Waals radius |
pm |
[23] |
vdw_radius_alvarez |
float |
Van der Waals radius according to Alvarez([7]) |
pm |
|
vdw_radius_batsanov |
float |
Van der Waals radius according to Batsanov |
pm |
[8] |
vdw_radius_bondi |
float |
Van der Waals radius according to Bondi |
pm |
[9] |
vdw_radius_dreiding |
float |
Van der Waals radius from the DREIDING FF |
pm |
[34] |
vdw_radius_mm3 |
float |
Van der Waals radius from the MM3 FF |
pm |
[3] |
vdw_radius_rt |
float |
Van der Waals radius according to Rowland and Taylor |
pm |
[48] |
vdw_radius_truhlar |
float |
Van der Waals radius according to Truhlar |
pm |
[33] |
vdw_radius_uff |
float |
Van der Waals radius from the UFF |
pm |
[47] |
Isotopes¶
Name |
Type |
Comment |
Unit |
Data Source |
---|---|---|---|---|
abundance |
float |
Relative Abundance |
[25] |
|
abundance_uncertainty |
float |
Uncertainty of relative abundance |
[25] |
|
atomic_number |
int |
Atomic number |
||
decay_modes |
obj |
Decay modes with intensities |
[25] |
|
discovery_year |
int |
Year the isotope was discovered |
[25] |
|
g_factor |
float |
Nuclear g-factor |
[55] |
|
g_factor_uncertainty |
float |
Uncertainty of the nuclear g-factor |
[55] |
|
half_life |
float |
Half life of the isotope |
[25] |
|
half_life_uncertainty |
float |
Uncertainty of the half life |
[25] |
|
half_life_unit |
str |
Unit in which the half life is given |
[25] |
|
is_radioactive |
bool |
Is the isotope radioactive |
[62] |
|
mass |
float |
Atomic mass |
Da |
[62] |
mass_number |
int |
Mass number of the isotope |
[62] |
|
mass_uncertainty |
float |
Uncertainty of the atomic mass |
Da |
[62] |
parity |
str |
Parity, if present, it can be either + or - |
[25] |
|
quadrupole_moment |
float |
Nuclear electric quadrupole moment |
b [100 fm2] |
[54] |
quadrupole_moment_uncertainty |
float |
Nuclear electric quadrupole moment |
b [100 fm2] |
[54] |
spin |
str |
Nuclear spin quantum number |
[25] |
Isotope Decay Modes¶
Name |
Type |
Comment |
Unit |
Data Source |
---|---|---|---|---|
isotope_id |
int |
ID of the isotope |
||
mode |
str |
ASCII symbol of the decay mode |
[25] |
|
relation |
str |
Uncertainty of relative abundance |
[25] |
|
intensity |
float |
Intensity of the decay mode |
% |
[25] |
is_allowed_not_observed |
bool |
If True decay mode is energetically allowed, but not experimentally observed |
[25] |
|
is_observed_intensity_unknown |
bool |
If True decay mode is observed, but its intensity is not experimentally known |
[25] |
The different modes in the table are stores as ASCII representations for compatibility. The table below provides explanations of the symbols.
ASCII |
Unicode |
Description |
---|---|---|
A |
\(\alpha\) |
\(\alpha\) emission |
p |
p |
proton emission |
2p |
2p |
2-proton emission |
n |
n |
neutron emission |
2n |
2n |
2-neutron emission |
EC |
\(\epsilon\) |
electron capture |
e+ |
\(e^{+}\) |
positron emission |
B+ |
\(\beta^{+}\) |
\(\beta^{+}\) decay (\(\beta^{+}=\epsilon+e^{+}\)) |
B- |
\(\beta^{-}\) |
\(\beta^{-}\) decay |
2B- |
2\(\beta^{-}\) |
double \(\beta^{-}\) decay |
2B+ |
2\(\beta^{+}\) |
double \(\beta^{+}\) decay |
B-n |
\(\beta^{-}\) n |
\(\beta^{-}\)-delayed neutron emission |
B-2n |
\(\beta^{-}\) 2n |
\(\beta^{-}\)-delayed 2-neutron emission |
B-3n |
\(\beta^{-}\) 3n |
\(\beta^{-}\)-delayed 3-neutron emission |
B+p |
\(\beta^{+}\) p |
\(\beta^{+}\)-delayed proton emission |
B+2p |
\(\beta^{+}\) 2p |
\(\beta^{+}\)-delayed 2-proton emission |
B+3p |
\(\beta^{+}\) 3p |
\(\beta^{+}\)-delayed 3-proton emission |
B-A |
\(\beta^{-}\alpha\) |
\(\beta^{-}\)-delayed \(\alpha\) emission |
B+A |
\(\beta^{+}\alpha\) |
\(\beta^{+}\)-delayed \(\alpha\) emission |
B-d |
\(\beta^{-}\) d |
\(\beta^{-}\)-delayed deuteron emission |
B-t |
\(\beta^{-}\) t |
\(\beta^{-}\)-delayed triton emission |
IT |
IT |
internal transition |
SF |
SF |
spontaneous fission |
B+SF |
\(\beta^{+}\) SF |
\(\beta^{+}\)-delayed fission |
B-SF |
\(\beta^{-}\) SF |
\(\beta^{-}\)-delayed fission |
24Ne |
24Ne |
heavy cluster emission |
Data Footnotes