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: 72
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: 2
Number of elements: 1
Element list: ['O']
Chemical System: O
Density: 1.5083357915666677
Atomic Density: 0.05677344433728469
Unit Cell Volume: 35.22773760419085
Molar Volume: 10.607319725439122
Full Formula: O2
Reduced Formula: O
Formula Anonymous: A
Spacegroup Number: 166
Spacegroup Symbol: R-3mH
Crystal System: trigonal
Pointgroup: -3m