[{"table_name":"elements","column_name":"abundance_crust","description":"Abundance in the Earth's crust","unit":"mg/kg","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"abundance_sea","description":"Abundance in the seas","unit":"mg/L","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"atomic_number","description":"Atomic number","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"atomic_radius","description":"Atomic radius","unit":"pm","citation_keys":"Slater1964","annotations":null},{"table_name":"elements","column_name":"atomic_radius_rahm","description":"Atomic radius by Rahm et al.","unit":"pm","citation_keys":"Rahm2016,Rahm2017","annotations":null},{"table_name":"elements","column_name":"atomic_volume","description":"Atomic volume","unit":"cm^3/mol","citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"atomic_weight","description":"Relative atomic weight","unit":"Da","citation_keys":"Meija2016,iupac-weights","annotations":"Atomic weights and their uncertainties were retrieved mainly from ref. :cite:`iupac-weights`. For elements whose values were given as ranges the *conventional atomic weights* from Table 3 in ref. :cite:`Meija2016` were taken. For radioactive elements the standard approach was adopted where the weight is taken as the mass number of the most stable isotope. The data was obtained from `CIAAW page on radioactive elements <http://www.ciaaw.org/radioactive-elements.htm>`_. In cases where two isotopes were specified the one with the smaller standard deviation was chosen. In case of Tc and Pm relative weights of their isotopes were used, for Tc isotope 98, and for Pm isotope 145 were taken from `CIAAW <http://www.ciaaw.org/atomic-masses.htm>`_."},{"table_name":"elements","column_name":"atomic_weight_uncertainty","description":"Atomic weight uncertainty","unit":"Da","citation_keys":"Meija2016,iupac-weights","annotations":null},{"table_name":"elements","column_name":"block","description":"Block in periodic table","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"c6","description":"C_6 dispersion coefficient","unit":"hartree/bohr^6","citation_keys":"Chu2004,Tang1976","annotations":null},{"table_name":"elements","column_name":"c6_gb","description":"C_6 dispersion coefficient according to Gould & Bučko","unit":"hartree/bohr^6","citation_keys":"Gould2016","annotations":null},{"table_name":"elements","column_name":"cas","description":"Chemical Abstracts Serice identifier","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"covalent_radius_bragg","description":"Covalent radius by Bragg","unit":"pm","citation_keys":"Bragg1920","annotations":null},{"table_name":"elements","column_name":"covalent_radius_cordero","description":"Covalent radius by Cerdero et al.","unit":"pm","citation_keys":"Cordero2008","annotations":"In order to have a more homogeneous data for covalent radii taken from ref. :cite:`Cordero2008` the values for 3 different valences for C, also the low and high spin values for Mn, Fe Co, were respectively averaged."},{"table_name":"elements","column_name":"covalent_radius_pyykko","description":"Single bond covalent radius by Pyykko et al.","unit":"pm","citation_keys":"Pyykko2009","annotations":null},{"table_name":"elements","column_name":"covalent_radius_pyykko_double","description":"Double bond covalent radius by Pyykko et al.","unit":"pm","citation_keys":"Pyykko2009a","annotations":null},{"table_name":"elements","column_name":"covalent_radius_pyykko_triple","description":"Triple bond covalent radius by Pyykko et al.","unit":"pm","citation_keys":"Pyykko2005","annotations":null},{"table_name":"elements","column_name":"cpk_color","description":"Element color in CPK convention as HEX codes.","unit":null,"citation_keys":"wiki-cpk","annotations":null},{"table_name":"elements","column_name":"density","description":"Density at 295K","unit":"g/cm^3","citation_keys":"haynes2014crc,enwiki:1039678864","annotations":"Density values for solids and liquids are always in units of grams per cubic centimeter and can be assumed to refer to temperatures near room temperature unless otherwise stated. Values for gases are the calculated ideal gas densities at 25°C and 101.325 kPa. \n\nOriginal values for gasses are converted from g/L to g/cm\\ :sup:`3`.\n\nFor elements where several allotropes exist, the density corresponding to the most abundant are reported (for full list refer to :cite:`haynes2014crc`), namely:\n\n- Antimony (gray)\n- Berkelium (α form)\n- Carbon (graphite)\n- Phosphorus (white)\n- Selenium (gray)\n- Sulfur (rhombic)\n- Tin (white)\n\nFor elements where experimental data is not available, theoretical estimates taken from :cite:`enwiki:1039678864` are used, namely for:\n\n- Astatine\n- Francium\n- Einsteinium\n- Fermium\n- Mendelevium\n- Nobelium\n- Lawrencium\n- Rutherfordium\n- Dubnium\n- Seaborgium\n- Bohrium\n- Hassium\n- Meitnerium\n- Darmstadtium\n- Roentgenium\n- Copernicium\n- Nihonium\n- Flerovium\n- Moscovium\n- Livermorium\n- Tennessine\n- Oganesson\n"},{"table_name":"elements","column_name":"description","description":"Short description of the element","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"dipole_polarizability","description":"Dipole polarizability","unit":"bohr^3","citation_keys":"Schwerdtfeger2023","annotations":null},{"table_name":"elements","column_name":"dipole_polarizability_unc","description":"Uncertainty of the dipole polarizability","unit":"bohr^3","citation_keys":"Schwerdtfeger2023","annotations":null},{"table_name":"elements","column_name":"discoverers","description":"The discoverers of the element","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"discovery_location","description":"The location where the element was discovered","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"discovery_year","description":"The year the element was discovered","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"electron_affinity","description":"Electron affinity","unit":"eV","citation_keys":"haynes2014crc,Andersen2004","annotations":"Electron affinities were taken from :cite:`haynes2014crc` for the elements for which the data was available. For He, Be, N, Ar and Xe affinities were taken from :cite:`Andersen2004` where they were specified for metastable ions and therefore the values are negative.\n   \nUpdates\n\n- Electron affinity of niobium was taken from :cite:`Luo2016`.\n- Electron affinity of cobalt was taken from :cite:`Chen2016a`.\n- Electron affinity of lead was taken from :cite:`Chen2016`."},{"table_name":"elements","column_name":"electronic_configuration","description":"Ground state electronic configuration","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"en_allen","description":"Allen's scale of electronegativity","unit":"eV","citation_keys":"Mann2000a,Mann2000","annotations":"The values of configurational energies from refs. :cite:`Mann2000a` and :cite:`Mann2000` were taken as reported in eV without converting to Pauling units."},{"table_name":"elements","column_name":"en_ghosh","description":"Ghosh's scale of electronegativity","unit":"1/pm","citation_keys":"Ghosh2005","annotations":null},{"table_name":"elements","column_name":"en_pauling","description":"Pauling's scale of electronegativity","unit":null,"citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"evaporation_heat","description":"Evaporation heat","unit":"kJ/mol","citation_keys":null,"annotations":"- H: evaporation heat of H-H\n- F: evaporation heat of F-F\n- Cl: evaporation heat of Cl-Cl\n- Br: evaporation heat of Br-Br\n- I: evaporation heat of I-I"},{"table_name":"elements","column_name":"fusion_heat","description":"Fusion heat","unit":"kJ/mol","citation_keys":null,"annotations":"- H: fusion heat of H-H\n- F: fusion heat of F-F\n- Cl: fusion heat of Cl-Cl\n- Br: fusion heat of Br-Br\n- I: fusion heat of I-I"},{"table_name":"elements","column_name":"gas_basicity","description":"Gas basicity","unit":"kJ/mol","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"geochemical_class","description":"Geochemical classification","unit":null,"citation_keys":"white2013geochemistry","annotations":null},{"table_name":"elements","column_name":"glawe_number","description":"Glawe's number (scale)","unit":null,"citation_keys":"Glawe2016","annotations":null},{"table_name":"elements","column_name":"goldschmidt_class","description":"Goldschmidt classification","unit":null,"citation_keys":"white2013geochemistry,wiki-goldschmidt","annotations":null},{"table_name":"elements","column_name":"heat_of_formation","description":"Heat of formation","unit":"kJ/mol","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"is_monoisotopic","description":"Is the element monoisotopic","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"is_radioactive","description":"Is the element radioactive","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"jmol_color","description":"Element color in Jmol convention as HEX codes.","unit":null,"citation_keys":"jmol-colors","annotations":null},{"table_name":"elements","column_name":"lattice_constant","description":"Lattice constant","unit":"angstrom","citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"lattice_structure","description":"Lattice structure code","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"mendeleev_number","description":"Mendeleev's number","unit":null,"citation_keys":"Pettifor1984,Villars2004","annotations":"Mendeleev numbers were sourced from :cite:`Villars2004` but the range was extended to cover the whole periodic table following the prescription in the article of increasing the numbers going from top to bottom in each group and group by group from left to right in the periodic table."},{"table_name":"elements","column_name":"metallic_radius","description":"Single-bond metallic radius","unit":"pm","citation_keys":"kyleandlaby","annotations":null},{"table_name":"elements","column_name":"metallic_radius_c12","description":"Metallic radius with 12 nearest neighbors","unit":"pm","citation_keys":"kyleandlaby","annotations":null},{"table_name":"elements","column_name":"molar_heat_capacity","description":"Molar heat capacity @ 25 C, 1 bar                    ","unit":"J/mol/K","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"molcas_gv_color","description":"Element color in MOCAS GV convention as HEX codes.","unit":null,"citation_keys":"molcas-colors","annotations":null},{"table_name":"elements","column_name":"name","description":"Name in English","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"name_origin","description":"Origin of the name","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"period","description":"Period in periodic table","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"pettifor_number","description":"Pettifor scale","unit":null,"citation_keys":"Pettifor1984","annotations":null},{"table_name":"elements","column_name":"proton_affinity","description":"Proton affinity","unit":"kJ/mol","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"sources","description":"Sources of the element","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"specific_heat_capacity","description":"Specific heat capacity @ 25 C, 1 bar                 ","unit":"J/g/K","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"symbol","description":"Chemical symbol","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"thermal_conductivity","description":"Thermal conductivity @25 C","unit":"W/m/K","citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"uses","description":"Main applications of the element","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"vdw_radius","description":"Van der Waals radius","unit":"pm","citation_keys":"haynes2014crc","annotations":null},{"table_name":"elements","column_name":"vdw_radius_alvarez","description":"Van der Waals radius according to Alvarez","unit":"pm","citation_keys":"Alvarez2013,Vogt2014","annotations":"The bulk of the radii data was taken from Ref. :cite:`Alvarez2013`, but the radii for noble gasses were updated according to the values in Ref. :cite:`Vogt2014`."},{"table_name":"elements","column_name":"vdw_radius_batsanov","description":"Van der Waals radius according to Batsanov","unit":"pm","citation_keys":"Batsanov2001","annotations":null},{"table_name":"elements","column_name":"vdw_radius_bondi","description":"Van der Waals radius according to Bondi","unit":"pm","citation_keys":"Bondi1964","annotations":null},{"table_name":"elements","column_name":"vdw_radius_dreiding","description":"Van der Waals radius from the DREIDING FF","unit":"pm","citation_keys":"Mayo1990","annotations":null},{"table_name":"elements","column_name":"vdw_radius_mm3","description":"Van der Waals radius from the MM3 FF","unit":"pm","citation_keys":"Allinger1994","annotations":null},{"table_name":"elements","column_name":"vdw_radius_rt","description":"Van der Waals radius according to Rowland and Taylor","unit":"pm","citation_keys":"Rowland1996","annotations":null},{"table_name":"elements","column_name":"vdw_radius_truhlar","description":"Van der Waals radius according to Truhlar","unit":"pm","citation_keys":"Mantina2009","annotations":null},{"table_name":"elements","column_name":"vdw_radius_uff","description":"Van der Waals radius from the UFF","unit":"pm","citation_keys":"Rappe1992","annotations":null},{"table_name":"phasetransitions","column_name":"boiling_point","description":"Boiling point","unit":"K","citation_keys":"haynes2016crc","annotations":null},{"table_name":"phasetransitions","column_name":"melting_point","description":"Melting point at 101.325 kPa pressure","unit":"K","citation_keys":"haynes2016crc","annotations":null},{"table_name":"phasetransitions","column_name":"critical_temperature","description":"Critical temperature","unit":"K","citation_keys":"haynes2016crc","annotations":null},{"table_name":"phasetransitions","column_name":"critical_pressure","description":"Critical pressure","unit":"MPa","citation_keys":"haynes2016crc","annotations":null},{"table_name":"phasetransitions","column_name":"triple_point_temperature","description":"Temperature of the triple point","unit":"K","citation_keys":"haynes2016crc","annotations":null},{"table_name":"phasetransitions","column_name":"triple_point_pressure","description":"Presseure of the triple point","unit":"kPa","citation_keys":"haynes2016crc","annotations":null},{"table_name":null,"column_name":null,"description":"Number of electrons","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Number of neutrons","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Number of protons","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Mass number of the most abundant isotope","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"group","description":"Group in the periodic table","unit":null,"citation_keys":null,"annotations":null},{"table_name":"elements","column_name":"series","description":"Series in the periodic table","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Parr's electrophilicity index","unit":null,"citation_keys":"Parr1999","annotations":null},{"table_name":null,"column_name":null,"description":"International Chemical Identifier","unit":null,"citation_keys":"IUPAC-InChI","annotations":null},{"table_name":null,"column_name":null,"description":"See IonizationEnergy class documentation","unit":null,"citation_keys":"ionization_energies","annotations":null},{"table_name":null,"column_name":null,"description":"See Isotope class documentation","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"See IonicRadius class documentation","unit":null,"citation_keys":"Shannon1976,Lundberg2016","annotations":null},{"table_name":null,"column_name":null,"description":"See OxidationState class documentation","unit":null,"citation_keys":"enwiki:1102394064","annotations":null},{"table_name":null,"column_name":null,"description":"URL for the NIST Chemistry WebBook","unit":null,"citation_keys":"NIST-CH-WB","annotations":null},{"table_name":null,"column_name":null,"description":"See ScreeningConstant class documentation","unit":null,"citation_keys":"Clementi1963,Clementi1967","annotations":"The screening constants were calculated according to the following formula\n\n.. math::\n\n   \\sigma_{n,l,m} = Z - n\\cdot\\zeta_{n,l,m}\n\nwhere :math:`n` is the principal quantum number, :math:`Z` is the atomic number, :math:`\\sigma_{n,l,m}` is the screening constant, :math:`\\zeta_{n,l,m}` is the optimized exponent from :cite:`Clementi1963,Clementi1967`.\n\nFor elements Nb, Mo, Ru, Rh, Pd and Ag the exponent values corresponding to the ground state electronic configuration were taken (entries with superscript `a` in Table II in :cite:`Clementi1967`).\n\nFor elements La, Pr, Nd and Pm two exponent were reported for 4f shell denoted 4f and 4f' in :cite:`Clementi1967`. The value corresponding to 4f were used since according to the authors these are the dominant ones."},{"table_name":null,"column_name":null,"description":"Absolute hardness. Can also be calcualted for ions.","unit":"eV","citation_keys":"ParrPearson1983","annotations":null},{"table_name":null,"column_name":null,"description":"Absolute softness. Can also be calculated for ions.","unit":"1/eV","citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Effective nuclear charge","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Allred and Rochow's scale of electronegativity","unit":"e^2/pm^2","citation_keys":"Allred1958","annotations":null},{"table_name":null,"column_name":null,"description":"Cottrell and Sutton's scale of electronegativity","unit":"e^0.5/pm^0.5","citation_keys":"Cottrell1951","annotations":null},{"table_name":null,"column_name":null,"description":"Gordy's scale of electronegativity","unit":"e/pm","citation_keys":"Gordy1946","annotations":null},{"table_name":null,"column_name":null,"description":"Li and Xue's scale of electronegativity","unit":"1/pm","citation_keys":"Li2006,Li2009","annotations":null},{"table_name":null,"column_name":null,"description":"Martynov and Batsanov's scale of electronegativity","unit":"eV^0.5","citation_keys":"Batsanov1982","annotations":null},{"table_name":null,"column_name":null,"description":"Mulliken's scale of electronegativity","unit":"eV","citation_keys":"Mulliken1934","annotations":null},{"table_name":null,"column_name":null,"description":"Nagle's scale of electronegativity","unit":"1/bohr","citation_keys":"Nagle1990","annotations":null},{"table_name":null,"column_name":null,"description":"Sanderson's scale of electronegativity","unit":null,"citation_keys":"Sanderson1951,Sanderson1952","annotations":null},{"table_name":null,"column_name":null,"description":"Number of valence electrons","unit":null,"citation_keys":null,"annotations":null},{"table_name":null,"column_name":null,"description":"Possible oxides based on oxidation numbers","unit":null,"citation_keys":null,"annotations":null},{"table_name":"isotopes","column_name":"abundance","description":"Relative Abundance","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"abundance_uncertainty","description":"Uncertainty of relative abundance","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"atomic_number","description":"Atomic number","unit":null,"citation_keys":null,"annotations":null},{"table_name":"isotopes","column_name":"decay_modes","description":"Decay modes with intensities","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"discovery_year","description":"Year the isotope was discovered","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"g_factor","description":"Nuclear g-factor","unit":null,"citation_keys":"Stone2014,Stone2019table","annotations":"Original data taken from :cite:`Stone2014` and updated with the data from :cite:`Stone2019table` for all ground state isotopes."},{"table_name":"isotopes","column_name":"g_factor_uncertainty","description":"Uncertainty of the nuclear g-factor","unit":null,"citation_keys":"Stone2014,Stone2019table","annotations":null},{"table_name":"isotopes","column_name":"half_life","description":"Half life of the isotope","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"half_life_uncertainty","description":"Uncertainty of the half life","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"half_life_unit","description":"Unit in which the half life is given","unit":null,"citation_keys":"Kondev2021","annotations":" 1 year = 365.2422 days = 31 556 926 sec"},{"table_name":"isotopes","column_name":"is_radioactive","description":"Is the isotope radioactive","unit":null,"citation_keys":"iupac-masses","annotations":null},{"table_name":"isotopes","column_name":"mass","description":"Atomic mass","unit":"Da","citation_keys":"iupac-masses","annotations":null},{"table_name":"isotopes","column_name":"mass_number","description":"Mass number of the isotope","unit":null,"citation_keys":"iupac-masses","annotations":null},{"table_name":"isotopes","column_name":"mass_uncertainty","description":"Uncertainty of the atomic mass","unit":"Da","citation_keys":"iupac-masses","annotations":null},{"table_name":"isotopes","column_name":"parity","description":"Parity, if present, it can be either `+` or `-`","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopes","column_name":"quadrupole_moment","description":"Nuclear electric quadrupole moment","unit":"100 fm^2","citation_keys":"Stone2013,Stone2021table","annotations":"Original data taken from :cite:`Stone2013` and updated with the data from :cite:`Stone2021table` for all ground state isotopes."},{"table_name":"isotopes","column_name":"quadrupole_moment_uncertainty","description":"Nuclear electric quadrupole moment uncertainty","unit":"100 fm^2","citation_keys":"Stone2013,Stone2021table","annotations":null},{"table_name":"isotopes","column_name":"spin","description":"Nuclear spin quantum number","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"scattering_factors","column_name":"energy","description":"Energy of the incident photon","unit":"eV","citation_keys":"atomic_scattering_factors,henke1993xray","annotations":"specific data references available at cited data source"},{"table_name":"scattering_factors","column_name":"f1","description":"Scattering factor f1","unit":null,"citation_keys":"atomic_scattering_factors,henke1993xray","annotations":"specific data references available at cited data source"},{"table_name":"scattering_factors","column_name":"f2","description":"Scattering factor f2","unit":null,"citation_keys":"atomic_scattering_factors,henke1993xray","annotations":"specific data references available at cited data 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spin","unit":null,"citation_keys":"Shannon1976,Lundberg2016","annotations":null},{"table_name":"ionicradii","column_name":"crystal_radius","description":"Crystal radius","unit":"pm","citation_keys":"Shannon1976,Lundberg2016","annotations":null},{"table_name":"ionicradii","column_name":"ionic_radius","description":"Ionic radius","unit":"pm","citation_keys":"Shannon1976,Lundberg2016","annotations":null},{"table_name":"ionicradii","column_name":"origin","description":"Source of the data","unit":null,"citation_keys":"Shannon1976","annotations":null},{"table_name":"ionicradii","column_name":"most_reliable","description":"Most reliable value (see reference)","unit":null,"citation_keys":"Shannon1976","annotations":null},{"table_name":"isotopedecaymodes","column_name":"isotope_id","description":"ID of the isotope, links to the `isotopes` table.","unit":null,"citation_keys":"Kondev2021","annotations":null},{"table_name":"isotopedecaymodes","column_name":"mode","description":"ASCII symbol of the 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