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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227934

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-1227934
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Ba', 'Mg', 'V', 'Zn', 'O']
  • Chemical System: Ba-Mg-O-V-Zn
  • Density: 4.420387352217177
  • Atomic Density: 0.0757382340583792
  • Unit Cell Volume: 686.5752898320586
  • Molar Volume: 7.951255841743182
  • Full Formula: Ba4 Mg4 V8 Zn4 O32
  • Reduced Formula: BaMgV2ZnO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -387.45709359
  • Final energy per atom: -7.451097953653846
  • 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.