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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-774829
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 36
Number of elements: 5
Element list: ['V', 'Cr', 'Ni', 'P', 'O']
Chemical System: Cr-Ni-O-P-V
Density: 3.347290139490452
Atomic Density: 0.08196671363319938
Unit Cell Volume: 439.2026763583546
Molar Volume: 7.3470564977742665
Full Formula: V3 Cr2 Ni1 P6 O24
Reduced Formula: V3Cr2Ni(PO4)6
Formula Anonymous: AB2C3D6E24
Spacegroup Number: 146
Spacegroup Symbol: R3H
Crystal System: trigonal
Pointgroup: 3

Thermodynamics:

Final energy: -293.55895693
Final energy per atom: -8.154415470277778
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.