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: 20
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: 6
Number of elements: 2
Element list: ['Nb', 'O']
Chemical System: Nb-O
Density: 7.270161317955104
Atomic Density: 0.08040332628766417
Unit Cell Volume: 74.62377835630099
Molar Volume: 7.4899149550781
Full Formula: Nb3 O3
Reduced Formula: NbO
Formula Anonymous: AB
Spacegroup Number: 221
Spacegroup Symbol: Pm-3m
Crystal System: cubic
Pointgroup: m-3m