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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-1211313
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 12
Number of elements: 5
Element list: ['La', 'Ta', 'Cu', 'Br', 'O']
Chemical System: Br-Cu-La-O-Ta
Density: 6.898058823466446
Atomic Density: 0.06591668527152664
Unit Cell Volume: 182.0479890724044
Molar Volume: 9.135988460574676
Full Formula: La1 Ta2 Cu1 Br1 O7
Reduced Formula: LaTa2CuBrO7
Formula Anonymous: ABCD2E7
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -104.45667761
Final energy per atom: -8.704723134166667
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.