Simmate

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You can install Simmate to host your own server and access advanced features

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Due to limited resources, our website only includes a small number of features compared to the many available in the command-line and python. We highly recommend installing Simmate for local use, rather than just relying on the website.

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

Database Entry ID: 74
Created at: Sept. 4, 2022, 2:35 p.m.
Last updated at: Sept. 4, 2022, 2:35 p.m.
Input Source: AFLOW Prototypes

Structure:

Number of sites: 8
Number of elements: 2
Element list: ['Fe', 'B']
Chemical System: B-Fe
Density: 6.747941269310069
Atomic Density: 0.12193066544059529
Unit Cell Volume: 65.61105831
Molar Volume: 4.938987856942346
Full Formula: Fe4 B4
Reduced Formula: FeB
Formula Anonymous: AB
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm