Table of contents

Elements Data

========

The following data are from mendeleev (see there for data sources):

NameComment
abundance_crustAbundance in the Earth's crust
abundance_seaAbundance in the seas
annotationAnnotations regarding the data
atomic_numberAtomic number
atomic_radiusAtomic radius
atomic_radius_rahmAtomic radius by Rahm et al.
atomic_volumeAtomic volume
atomic_weightAtomic weight
atomic_weight_uncertaintyAtomic weight uncertainty
blockBlock in periodic table
boiling_pointBoiling temperature [1]
c6C_6 dispersion coefficient in a.u.
c6_gbC_6 dispersion coefficient in a.u. (Gould & Bučko)
casChemical Abstracts Serice identifier
covalent_radius_braggCovalent radius by Bragg
covalent_radius_corderoCovalent radius by Cerdero et al.
covalent_radius_pyykkoSingle bond covalent radius by Pyykko et al.
covalent_radius_pyykko_doubleDouble bond covalent radius by Pyykko et al.
covalent_radius_pyykko_tripleTriple bond covalent radius by Pyykko et al.
cpk_colorElement color in CPK convention
critical_pressureCritical pressure [1]
critical_temperatureCritical temperature [1]
densityDensity at 295K [2]
descriptionShort description of the element
dipole_polarizabilityDipole polarizability
dipole_polarizability_uncDipole polarizability uncertainty
discoverersThe discoverers of the element
discovery_locationThe location where the element was discovered
discovery_yearThe year the element was discovered
electron_affinityElectron affinity
electronsNumber of electrons
electrophilicityElectrophilicity index
electronic_configurationGround state electron configuration (see also el_config)
enegElectronegativities. Returns Electronegativities type
evaporation_heatEvaporation heat
fusion_heatFusion heat
gas_basicityGas basicity
geochemical_classGeochemical classification
glawe_numberGlawe's number (scale)
goldschmidt_classGoldschmidt classification
groupGroup in periodic table
heat_of_formationHeat of formation
inchiInternational Chemical Identifier
ionenergyIonization energies
ionic_radiiIonic and crystal radii
is_monoisotopicIs the element monoisotopic
is_radioactiveIs the element radioactive
isotopesIsotopes [3] . Returns Isotopes type
jmol_colorElement color in Jmol convention
lattice_constantLattice constant
lattice_structureLattice structure code
mass_numberMass number (most abundant isotope)
melting_pointMelting temperature [1]
mendeleev_numberMendeleev's number
metallic_radiusSingle-bond metallic radius
metallic_radius_c12Metallic radius with 12 nearest neighbors
molar_heat_capacityMolar heat capacity @ 25 C, 1 bar
molcas_gv_colorElement color in MOCAS GV convention
nameName in English
name_originOrigin of the name
neutronsNumber of neutrons (most abundant isotope)
oxistatesMain oxidation states [4]
nist_webbook_urlURL for the NIST Chemistry WebBook
periodPeriod in periodic table
pettifor_numberPettifor scale
proton_affinityProton affinity
protonsNumber of protons
sconstNuclear charge screening constants. Returns ScreenConstants type.
seriesIndex to chemical series
sourcesSources of the element
specific_heat_capacitySpecific heat capacity @ 25 C, 1 bar
symbolChemical symbol
thermal_conductivityThermal conductivity @25 C
triple_point_pressureTriple point pressure [1]
triple_point_temperatureTriple point temperature [1]
usesApplications of the element
vdw_radiusVan der Waals radius
vdw_radius_alvarezVan der Waals radius according to Alvarez
vdw_radius_batsanovVan der Waals radius according to Batsanov
vdw_radius_bondiVan der Waals radius according to Bondi
vdw_radius_dreidingVan der Waals radius from the DREIDING FF
vdw_radius_mm3Van der Waals radius from the MM3 FF
vdw_radius_rtVan der Waals radius according to Rowland and Taylor
vdw_radius_truhlarVan der Waals radius according to Truhlar
vdw_radius_uffVan der Waals radius from the UFF

Electronegativities [5] (type returned by eneg field):

NameComment
atomic_numberAtomic number
AllenScale according to Allen
AllredScale of Allred-Rochow
CottrellScale of Cottrell-Sutton
Ghosh
Gordy
MartynovScale of Martynov-Batsanov
Mulliken
Nagle
Pauling
Sanderson
LiScale of Li-Xue. Returns LiXue type.

Further properties, mostly from PeriodicTable (in part supported just for compatibility)

NameComment or synonym field
appearance
atomic_mass-> atomic_weight
boil-> boiling_point
category
color
cpk_hex-> cpk_color
discovered_byyear of discovery, names of discoverers, and discovery location
el_configelectron configuration, another way
melt-> melting_point
molar_heat-> molar_heat_capacity
number-> atomic_number
phase
shells
spectral_imgWikipedia picture URL
summarySome arbitrary general information
xposx-position of the element in the Periodic Table
yposy-position (both used for pretty print only)
wikipediaWikipedia URL

Properties from PeriodicTable omitted or changed in this package

NameComment
colorsee appearance (color was anyway missing for all elements but one)
named_bysee name_origin
sourcewas in all cases a Wikipedia link, thus renamed to wikipedia [6]
  • 1For elements with several allotropes existing at the phase transition temperature, the phase transition data corresponding to the most common are reported, namely: Antimony (gray), Carbon (graphite), Phosphorus (white), Selenium (gray), Sulfur (rhombic), Tin (white)
  • 2For elements with several allotropes existing at room temperature, the density corresponding to the most common is reported, namely: Antimony (gray), Berkelium (α form), Carbon (graphite), Phosphorus (white), Selenium (gray), Sulfur (rhombic), Tin (white)
  • 3Only naturally occurring stable or "almost stable" isotopes are listed, and only mass and abundance data. For comprehensive information on isotopes, see IsotopeTable. The isotopes property returns an Isotopes (see documentation for Isotopes and Isotope types).
  • 4Retrieved by the package author mostly from Wikipedia - see comments in the source file oxistates_data.jl
  • 5See mendeleev documentation for explanations and references
  • 6In PeriodicTable the source field was the data source (which in all cases was a Wikipedia article on the element), whereas in (Python) mendeleev sources (plural) is the sources of the material substance. In this package the source field from PeriodicTable goes to wikipedia field.