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"info": {
"author": "Lukasz Mentel",
"author_email": "lmmentel@gmail.com",
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"classifiers": [
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"Environment :: Console",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Natural Language :: English",
"Programming Language :: Python",
"Programming Language :: Python :: 2",
"Programming Language :: Python :: 3",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Physics"
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"description": "Installation_ | Documentation_ | Usage_ | Contributing_ | License_\n\n##################\nmendeleev_ package\n##################\n\n.. image:: https://readthedocs.org/projects/mendeleev/badge/\n :target: https://mendeleev.readthedocs.org\n :alt: Documentation Status\n\n.. image:: https://img.shields.io/pypi/v/mendeleev.svg?style=flat-square&label=PYPI%20version\n :target: https://pypi.python.org/pypi/mendeleev\n :alt: Latest version released on PyPi\n\n.. image:: https://img.shields.io/badge/License-MIT-yellow.svg\n :target: https://opensource.org/licenses/MIT\n :alt: MIT license\n\n.. image:: https://anaconda.org/conda-forge/github3.py/badges/installer/conda.svg\n :target: https://anaconda.org/lmmentel/mendeleev\n\n.. image:: https://travis-ci.org/lmmentel/mendeleev.svg?branch=master\n :target: https://travis-ci.org/lmmentel/mendeleev\n\n#########################################################\nImportant! This package has been migrated from bitbucket.\n#########################################################\n\nThe bitbucket repo is no longer being maintaned and development will continue at github.\n\n########\nOverview\n########\n\nThis package provides a convenient python API for accessing various properties\nof elements, ions and isotopes in the periodic table of elements.\n\nMoreover it provides an easy to use interface to `pandas `_\nand convenient visualization functionality through `bokeh `_\nthat enables you to create customized periodic tables displaying various properties.\n\n.. image:: docs/source/img/mendeleev_periodic_series.png\n :width: 800px\n :align: center\n :alt: alternate text\n\n\nThe ``mendeleev`` package also supplies convenient tools for dealing with electronic configurations, calculating\nfunctions of atomic properties, exploring the periodic trends in the periodic tables. If you want\nto look at some examples there are a few `tutorials `_\navailable as `jupyter notebooks `_.\n\n*******************\nInteractive web app\n*******************\n\nIf you would like to explore the data available in mendeleev_\ncheck out the interactive web app at `mendeleev.herokuapp.com `_\nwhere you can create your own periodic tables and visualize the relations between various properties\nof elements.\n\n\n.. image:: docs/source/img/mendeleevapp_periodic.png\n :width: 800px\n :align: center\n :alt: Periodic table view\n\n.. image:: docs/source/img/mendeleevapp_correlations.png\n :width: 800px\n :align: center\n :alt: Correlations view\n\n****\nData\n****\n\nA comprehensive list of the available data together with appropriate references are available in the\n`documentation `_. Here the most important entries are listed: \n\n\nBasic properties\n================\n\n- atomic number\n- atomic weight\n- block\n- cas\n- electrons\n- electronic configuration\n- group\n- name\n- neutrons\n- period\n- protons\n- series\n- symbol\n\nStandardized colors schemes\n===========================\n\n- cpk_color \n- jmol_color\n- molcas_gv_color\n\nSize related properties\n=======================\n\n- atomic radius\n- covalent radius (Bragg, Cordero, Pyykko, Slater)\n- ionic radius\n- metallic radius\n- van der Waals radius (Alvarez, Batsanov, Bondi, Dreiding, MM3, RT, Truhlar, UFF)\n\nElectronegativity scales\n========================\n\n- Allen\n- Allred & Rochow\n- Cottrell & Sutton\n- Ghosh\n- Gordy\n- Li & Xue\n- Nagle\n- Martynov & Batsanov\n- Mulliken\n- Pauling\n- Sanderson\n\nDescriptive properties\n======================\n\n- discoverers\n- discovery location\n- dipole year\n- description\n- name origin\n- sources\n- uses\n\nPhysical properties\n===================\n\n- boiling point\n- C6\n- density\n- dipole polarizability\n- electron affinity\n- evaporation heat\n- gas basicity\n- ionization energies\n- lattice structure\n- melting point\n- oxidation states\n- proton affinity\n- specific heat\n- thermal conductivity\n- nuclear screening constants (Slater & Clementi) \n\nIsotope properties\n==================\n\n- abundance\n- g_factor\n- half_life\n- radioactivity\n- mass\n- mass number\n- spin\n- quadrupole_moment\n\n\n************\nInstallation\n************\n\nThe preferred installation method is with conda_ and you can install \nthe package from `my anaconda channel `_ by \n\n.. code-block:: bash\n\n conda install -c lmmentel mendeleev=0.5.1\n\nThe package can also be installed using `pip `_\n\n.. code-block:: bash\n\n pip install mendeleev\n\nYou can also install the most recent version from the repository:\n\n.. code-block:: bash\n\n pip install git+https://github.com/lmmentel/mendeleev.git\n\n\n\n*************\nDocumentation\n*************\n\n\nDocumentation is hosted on `Read the Docs `_.\n\n*****\nUsage\n*****\n\nThe simplest way of accessing the element data is by importing elements directly from\nthe `mendeleev` package by their symbols. For example consider iron (Fe)::\n\n >>> from mendeleev import Fe\n >>> Fe.name\n 'Iron'\n >>> Fe.atomic_number\n 26\n >>> Fe.thermal_conductivity\n 80.4\n\n\nAnother, more flexible way is through the ``element`` method that returns\nthe ``Element`` object::\n\n >>> from mendeleev import element\n\nThe ``element`` method accepts unique identifiers: atomic number, atomic\nsymbol or element's name in english. To retrieve the entries on Silicon by\nsymbol type\n\n.. code-block:: python\n\n >>> si = element('Si')\n >>> si.name\n 'Silicon'\n\nSimilarly to access the data by atomic number or element names type\n\n.. code-block:: python\n\n >>> al = element(13)\n >>> al.name\n 'Aluminium'\n >>> o = element('Oxygen')\n >>> o.atomic_number\n 8\n\nLists of elements\n=================\n\nThe ``element`` method also accepts list or tuple of identifiers and then\nreturns a list of ``Element`` objects\n\n.. code-block:: python\n\n >>> c, h, o = element(['C', 'Hydrogen', 8])\n >>> c.name, h.name, o.name\n ('Carbon', 'Hydrogen', 'Oxygen')\n\n\nIsotopes\n--------\n\nThe ``isotopes`` attribute returns a list of ``Isotope`` objects with the\nfollowing attributes per isotope\n\n* ``atomic_number``\n* ``mass``\n* ``abundance``\n* ``mass_number``\n\n.. code-block:: python\n\n >>> fe = element('Fe')\n >>> for iso in fe.isotopes:\n ... print(iso)\n 26 55.93494 91.75% 56\n 26 56.93540 2.12% 57\n 26 57.93328 0.28% 58\n 26 53.93961 5.85% 54\n\nThe columns represent the attributes ``atomic_number``, ``mass``,\n``abundance`` and ``mass_number`` respectively.\n\nTables and the database\n=======================\n\nmendeleev_ offers also methods for accessing whole tables of data, e.g. table \nwith the data on all isotopes and methods for interacting directly with the\ndatabase engine, for more details see the `API documentation `_\nand `this tutorial `_.\n\nCLI utility\n===========\n\nFor those who work in the terminal there is a simple command line interface\n(CLI) for printing the information about a given element. The script name is\n`element.py` and it accepts either the symbol or name of the element or it's\natomic number as an argument and prints the data about it. For example, to\nprint the properties of silicon type\n\n.. code-block:: bash\n\n $ element.py Si\n _ _ _ _ _ \n _(_)(_)(_)(_)_ (_) \n (_) (_)_ _ \n (_)_ _ _ _ (_)(_) \n (_)(_)(_)(_)_ (_) \n _ (_) (_) \n (_)_ _ _ _(_)_ (_) _ \n (_)(_)(_)(_) (_)(_)(_) \n \n \n\n Description\n ===========\n\n Metalloid element belonging to group 14 of the periodic table. It is\n the second most abundant element in the Earth's crust, making up 25.7%\n of it by weight. Chemically less reactive than carbon. First\n identified by Lavoisier in 1787 and first isolated in 1823 by\n Berzelius.\n\n Sources\n =======\n\n Makes up major portion of clay, granite, quartz (SiO2), and sand.\n Commercial production depends on a reaction between sand (SiO2) and\n carbon at a temperature of around 2200 \u00b0C.\n\n Uses\n ====\n\n Used in glass as silicon dioxide (SiO2). Silicon carbide (SiC) is one\n of the hardest substances known and used in polishing. Also the\n crystalline form is used in semiconductors.\n\n Properties\n ==========\n\n Abundance crust 282000\n Abundance sea 2.2\n Annotation \n Atomic number 14\n Atomic radius 132\n Atomic radius rahm 232\n Atomic volume 12.1\n Atomic weight 28.085\n Atomic weight uncertainty NaN\n Block p\n Boiling point 2628\n C6 305\n C6 gb 308\n Cas 7440-21-3\n Covalent radius bragg 117\n Covalent radius cordero 111\n Covalent radius pyykko 116\n Covalent radius pyykko double 107\n Covalent radius pyykko triple 102\n Covalent radius slater 110\n Cpk color #daa520\n Density 2.33\n Dipole polarizability 37.31\n Discoverers J\u00f6ns Berzelius\n Discovery location Sweden\n Discovery year 1824\n Electron affinity 1.38952\n Electronic configuration [Ne] 3s2 3p2\n En allen 11.33\n En ghosh 0.178503\n En pauling 1.9\n Evaporation heat 383\n Fusion heat 50.6\n Gas basicity 814.1\n Geochemical class major\n Goldschmidt class litophile\n Group id 14\n Heat of formation 450\n Is monoisotopic None\n Is radioactive False\n Jmol color #f0c8a0\n Lattice constant 5.43\n Lattice structure DIA\n Melting point 1683\n Metallic radius 117\n Metallic radius c12 138\n Molcas gv color #f0c8a0\n Name Silicon\n Name origin Latin: silex, silicus, (flint).\n Period 3\n Proton affinity 837\n Series id 5\n Specific heat 0.703\n Symbol Si\n Thermal conductivity 149\n Vdw radius 210\n Vdw radius alvarez 219\n Vdw radius batsanov 210\n Vdw radius bondi 210\n Vdw radius dreiding 427\n Vdw radius mm3 229\n Vdw radius rt NaN\n Vdw radius truhlar NaN\n Vdw radius uff 429.5\n\n\n\n************\nContributing\n************\n\nAll contributions are welcome! \n\nIssues_\n=======\n\nFeel free to submit issues_ regarding:\n\n- data updates and recommendations\n- enhancement requests and new useful features\n- code bugs\n- data or citation inconsistencies or errors\n\n`Pull requests `_\n================================\n\n- before stating to work on your pull request please `submit an issue `_ first\n- fork the repo on `github `_\n- clone the project to your own machine\n- commit changes to your own branch\n- push your work back up to your fork\n- submit a `pull request`_ so that your changes can be reviewed\n\n\n*******\nLicense\n*******\n\nMIT, see `LICENSE `_\n\n\n******\nCiting\n******\n\nIf you use mendeleev_ in a scientific publication, please consider citing the software as\n\n| L. M. Mentel, *mendeleev* - A Python resource for properties of chemical elements, ions and isotopes. , 2014-- . Available at: `https://github.com/lmmentel/mendeleev `_.\n\n\n\nHere's the reference in the `BibLaTeX `_ format\n\n.. code-block:: latex\n\n @software{mendeleev2014,\n author = {Mentel, \u0141ukasz},\n title = {{mendeleev} -- A Python resource for properties of chemical elements, ions and isotopes},\n url = {https://github.com/lmmentel/mendeleev},\n version = {0.5.1},\n date = {2014--},\n }\n\nor the older `BibTeX `_ format\n\n.. code-block:: latex\n\n @misc{mendeleev2014,\n auhor = {Mentel, \u0141ukasz},\n title = {mendeleev} -- A Python resource for properties of chemical elements, ions and isotopes, ver. 0.5.1},\n howpublished = {\\url{https://github.com/lmmentel/mendeleev}},\n year = {2014--},\n }\n\n\n*******\nFunding\n*******\n\nThis project is supported by the RCN (The Research Council of Norway) project\nnumber 239193.\n\n\n.. _conda: https://conda.io/docs/intro.html\n.. _issues: https://github.com/lmmentel/mendeleev/issues\n.. _mendeleev: http://mendeleev.readthedocs.org\n.. _pull request: https://github.com/lmmentel/mendeleev/pulls\n.. _source: https://github.com/lmmentel/mendeleev",
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