Package: mendeleev
Pythonic periodic table of elementsA package with a convenient python API for accessing various properties
of elements, ions and isotopes in the periodic table of elements.Report Bug·Request Feature·Submit a Pull RequestTable of ContentsTable of ContentsAbout the projectInteractive web appInstallationDocumentationDataBasic propertiesStandardized colors schemesSize related propertiesElectronegativity scalesDescriptive propertiesPhysical propertiesComputed propertiesIsotope propertiesGetting startedLists of elementsIsotopesAccesing data tables and the databaseCommand line interface utilityContributingIssuesPull requestsLicenseCitingFundingsource:https://github.com/lmmentel/mendeleevAbout the projectThis package provides a convenient python API for accessing various
properties of elements, ions and isotopes in the periodic table of
elements.Moreover it provides an easy to use interface topandasand convenient visualization
functionality throughbokehthat
enables you to create customized periodic tables displaying various
properties.Django Extensions is free and always will be. It is development and maintained by developers in an Open Source manner. Any support is welcome. You could help by writing documentation, pull-requests, report issues and/or translations.
iodic trends in the periodic tables. If you want to
look at some examples there are a fewtutorialsavailable asjupyter notebooks.Interactive web appIf you would like to explore the data available inmendeleevcheck out the interactive
web app atmendeleev.herokuapp.comwhere you can create your own periodic tables and visualize the
relations between various properties of elements.InstallationThe preferred installation method is withcondaand you can install the package from
theconda-forge Anaconda channelchannel byconda install -c lmmentel mendeleev=0.15.0The package can also be installed usingpippip install mendeleevorpipenvpipenv install mendeleevYou can also install the most recent version from the repository:pip install git+https://github.com/lmmentel/mendeleev.gitDocumentationFull documentation is hosted onRead the Docs.There are also tutorials available asJupyternotebooks onbinderwhere you can explore the examples interactively:Quick startBulk data accessElectronic ConfigurationIonsVisualizationsAdvanced visualizationsDataA comprehensive list of the available data together with appropriate
references are available in thedocumentation. Here the most
important entries are listed:Basic propertiesatomic numberatomic volumeatomic weightblockcaselectronselectronic configurationgroupnameneutronsmass numberperiodprotonsseriessymbolStandardized colors schemescpk_colorjmol_colormolcas_gv_colorSize related propertiesatomic radius (Slater, Rahm)covalent radius (Bragg, Cordero, Pyykko)ionic radiusmetallic radiusvan der Waals radius (Alvarez, Batsanov, Bondi, Dreiding, MM3, RT,
Truhlar, UFF)Electronegativity scalesAllenAllred & RochowCottrell & SuttonGhoshGordyLi & XueNagleMartynov & BatsanovMullikenPaulingSandersonDescriptive propertiesdiscoverersdiscovery locationdiscovery yeardipole yeardescriptionname originsourcesusesPhysical propertiesboiling pointC<sub>6</sub>critical temperaturecritical pressuredensitydipole polarizabilityelectron affinityevaporation heatfusion heatgas basicityheat of formationionization energieslattice constantlattice structuremelting pointoxidation statesproton affinityspecific heat capacitythermal conductivitytriple point temperaturetriple point pressureComputed propertieshardnesssoftnesselectrophilicityOther propertiesabundance in the Earth's crustabundance in the seageochemical classGlawe numberGoldschmidt classInChIis monoisotopicis radioactiveisotopesMendeleev numberNIST WebBook URLnuclear screening constants (Slater & Clementi)Isotope propertiesabundanceabundance uncertaintydiscovery yearg-factorg-factor uncertaintyhalf lifehalf life uncertaintyradioactivitymassmass numberparityquadrupole momentquadrupole moment uncertaintyspinGetting startedThe simplest way of accessing the element data is by importing elements
directly from the [mendeleev]{.title-ref} package by their symbols. For
example consider iron (Fe):>>> from mendeleev import Fe
>>> Fe.name
'Iron'
>>> Fe.atomic_number
26
>>> Fe.thermal_conductivity
80.4Another, more flexible way is through theelementmethod that returns
theElementobject:>>> from mendeleev import elementTheelementmethod accepts unique identifiers: atomic number, atomic
symbol or element's name in english. To retrieve the entries on Silicon
by symbol type>>> si = element('Si')
>>> si.name
'Silicon'Similarly to access the data by atomic number or element names type>>> al = element(13)
>>> al.name
'Aluminium'
>>> o = element('Oxygen')
>>> o.atomic_number
8Lists of elementsTheelementmethod also accepts list or tuple of identifiers and then
returns a list ofElementobjects>>> c, h, o = element(['C', 'Hydrogen', 8])
>>> c.name, h.name, o.name
('Carbon', 'Hydrogen', 'Oxygen')IsotopesTheisotopesattribute returns a list ofIsotopeobjects with the
following attributes per isotopeatomic_numbermassabundancemass_number>>> fe = element('Fe')
>>> for iso in fe.isotopes:
...     print(iso)
 26   55.93494  91.75%    56
 26   56.93540   2.12%    57
 26   57.93328   0.28%    58
 26   53.93961   5.85%    54The columns represent the attributesatomic_number,mass,abundanceandmass_numberrespectively.Accesing data tables and the databasemendeleevoffers also methods for
accessing whole tables of data, e.g. table with the data on all isotopes
and methods for interacting directly with the database engine, for more
details see theAPI
documentationandthis
tutorial.Command line interface utilityFor those who work in the terminal there is a simple command line
interface (CLI) for printing the information about a given element. The
script name is [element.py]{.title-ref} and it accepts either the symbol
or name of the element or it's atomic number as an argument and prints
the data about it. For example, to print the properties of silicon type$ element.py Si
                            _  _  _  _      _
                          _(_)(_)(_)(_)_   (_)
                         (_)          (_)_  _
                         (_)_  _  _  _  (_)(_)
                           (_)(_)(_)(_)_   (_)
                          _           (_)  (_)
                         (_)_  _  _  _(_)_ (_) _
                           (_)(_)(_)(_) (_)(_)(_)



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.

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.

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.

Properties
==========

Abundance crust                                         282000
Abundance sea                                              2.2
Annotation
Atomic number                                               14
Atomic radius                                              132
Atomic radius rahm                                         232
Atomic volume                                             12.1
Atomic weight                                           28.085
Atomic weight uncertainty                                  NaN
Block                                                        p
Boiling point                                             2628
C6                                                         305
C6 gb                                                      308
Cas                                                  7440-21-3
Covalent radius bragg                                      117
Covalent radius cordero                                    111
Covalent radius pyykko                                     116
Covalent radius pyykko double                              107
Covalent radius pyykko triple                              102
Covalent radius slater                                     110
Cpk color                                              #daa520
Density                                                   2.33
Dipole polarizability                                    37.31
Discoverers                                     Jöns Berzelius
Discovery location                                      Sweden
Discovery year                                            1824
Electron affinity                                      1.38952
Electronic configuration                          [Ne] 3s2 3p2
En allen                                                 11.33
En ghosh                                              0.178503
En pauling                                                 1.9
Evaporation heat                                           383
Fusion heat                                               50.6
Gas basicity                                             814.1
Geochemical class                                        major
Goldschmidt class                                    litophile
Group id                                                    14
Heat of formation                                          450
Is monoisotopic                                           None
Is radioactive                                           False
Jmol color                                             #f0c8a0
Lattice constant                                          5.43
Lattice structure                                          DIA
Melting point                                             1683
Metallic radius                                            117
Metallic radius c12                                        138
Molcas gv color                                        #f0c8a0
Name                                                   Silicon
Name origin                    Latin: silex, silicus, (flint).
Period                                                       3
Proton affinity                                            837
Series id                                                    5
Specific heat                                            0.703
Symbol                                                      Si
Thermal conductivity                                       149
Vdw radius                                                 210
Vdw radius alvarez                                         219
Vdw radius batsanov                                        210
Vdw radius bondi                                           210
Vdw radius dreiding                                        427
Vdw radius mm3                                             229
Vdw radius rt                                              NaN
Vdw radius truhlar                                         NaN
Vdw radius uff                                           429.5Contributingmendeleevis free and always will be. It is developed and maintained by developers in an Open Source manner.Any contributions are welcome. You could help by writing documentation, pull-requests, report issues or suggesting new features.IssuesFeel free to submitissuesregarding:data updates and recommendationsenhancement requests and new useful featurescode bugsdata or citation inconsistencies or errorsPull requestsbefore stating to work on your pull request pleasesubmit an
issuefirstfork the repo ongithubclone the project to your own machinecommit changes to your own branchpush your work back up to your forksubmit apull requestso that your changes can be reviewedLicenseThis package is released under the permissive MIT license, seeLICENSECitingIf you usemendeleevin a scientific
publication, please consider citing the software asL. M. Mentel,mendeleev- A Python resource for properties of
chemical elements, ions and isotopes. , 2014-- . Available at:https://github.com/lmmentel/mendeleev.Here's the reference in theBibLaTeXformat@software{mendeleev2014,
   author = {Mentel, Łukasz},
   title = {{mendeleev} -- A Python resource for properties of chemical elements, ions and isotopes},
   url = {https://github.com/lmmentel/mendeleev},
   version = {0.15.0},
   date = {2014--},
}or the olderBibTeXformat@misc{mendeleev2014,
   auhor = {Mentel, Łukasz},
   title = {mendeleev} -- A Python resource for properties of chemical elements, ions and isotopes, ver. 0.15.0},
   howpublished = {\url{https://github.com/lmmentel/mendeleev}},
   year  = {2014--},
}FundingThis project was supported by the RCN (The Research Council of Norway)
project number 239193.