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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-32308
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 18
Number of elements: 3
Element list: ['Ta', 'Ni', 'O']
Chemical System: Ni-O-Ta
Density: 8.190209818476813
Atomic Density: 0.08593027021131142
Unit Cell Volume: 209.47216802340014
Molar Volume: 7.008171561884925
Full Formula: Ta4 Ni2 O12
Reduced Formula: Ta2NiO6
Formula Anonymous: AB2C6
Spacegroup Number: 136
Spacegroup Symbol: P4_2/mnm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -170.43403894
Final energy per atom: -9.468557718888889
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.