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: 70
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: 4
Number of elements: 2
Element list: ['H', 'S']
Chemical System: H-S
Density: 4.385826025405438
Atomic Density: 0.3010880580537086
Unit Cell Volume: 13.285149952
Molar Volume: 2.000126075716281
Full Formula: H3 S1
Reduced Formula: H3S
Formula Anonymous: AB3
Spacegroup Number: 229
Spacegroup Symbol: Im-3m
Crystal System: cubic
Pointgroup: m-3m