https://github.com/exabyte-io/periodic-table

Data about chemical elements arranged in JSON format
https://github.com/exabyte-io/periodic-table

chemical-elements cheminformatics chemistry data-science materials materials-informatics periodic-table periodic-table-of-elements

Last synced: 23 days ago
JSON representation

Data about chemical elements arranged in JSON format

• Host: GitHub
• URL: https://github.com/exabyte-io/periodic-table
• Owner: Exabyte-io
• License: other
• Created: 2018-11-19T22:48:29.000Z (about 6 years ago)
• Default Branch: dev
• Last Pushed: 2024-03-14T19:45:09.000Z (9 months ago)
• Last Synced: 2024-04-26T02:44:12.214Z (8 months ago)
• Topics: chemical-elements, cheminformatics, chemistry, data-science, materials, materials-informatics, periodic-table, periodic-table-of-elements
• Language: JavaScript
• Homepage: https://www.npmjs.com/package/@exabyte-io/periodic-table.js
• Size: 268 KB
• Stars: 0
• Watchers: 10
• Forks: 1
• Open Issues: 5
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.md

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# Periodic Table

Data about chemical elements arranged in JSON format. The module also contains a `Element` class for convenient access

to unit conversion of atomic properties (see example below).

The package has a dual-nature as both a Python and a Node.js package.

## 1. Installation

### 1.1. JavaScript

The package can be installed from NPM as follow:

```bash

npm install @mat3ra/periodic-table

```

### 1.2. Python

```bash

pip install mat3ra-periodic-table

```

## 2. Usage

### 2.1. JavaScript

```javascript

import {PERIODIC_TABLE, ChemicalElement} from "@mat3ra/periodic-table";

console.log(PERIODIC_TABLE.H);

const li = new ChemicalElement("Li");

console.log(li.atomicRadiusIn("bohr"));

```

### 2.2. Python

```python

from mat3ra.periodic_table import PERIODIC_TABLE

console.log(PERIODIC_TABLE.H);

```

## 3. Atomic Properties

- `name`: element name

- `symbol`: element symbol

- `atomic_number`: atomic number

- `atomic_mass`: atomic mass in amu

- `atomic_radius_pm`: empirical atomic radius in pm by Slater (doi: [10.1063/1.1725697](https://doi.org/10.1063/1.1725697))

- `covalent_radius_pm`: covalent radius "2008 values" (doi: [10.1039/b801115j](https://doi.org/10.1039/b801115j))

- `van_der_Waal_radius_pm`: van der Waals radius (doi: [10.1021/jp8111556](https://doi.org/10.1021/jp8111556), [10.1021/j100785a001](https://doi.org/10.1021/j100785a001))

## 4. Notes

- Colors are in CPK convention

## 5. Contributions

This repository is an [open-source](LICENSE.md) work-in-progress and we welcome contributions.

## 6. ToDos

- Add python code to make this repository into a python package

## 7. Links

1. Periodic table original source: GPeriodic, Open source Linux software: [link](http://gperiodic.seul.org/)