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  1. Third-Parties
  2. MatprojStructure
  3. mp-531272

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-531272
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Ga', 'As', 'O']
  • Chemical System: As-Ga-O
  • Density: 5.816753762297883
  • Atomic Density: 0.10073506683189541
  • Unit Cell Volume: 536.0596036543469
  • Molar Volume: 5.9781970165857174
  • Full Formula: Ga9 As9 O36
  • Reduced Formula: GaAsO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -348.64719977000004
  • Final energy per atom: -6.4564296253703715
  • 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.