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  1. Third-Parties
  2. MatprojStructure
  3. mp-726340

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-726340
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Co', 'As', 'O', 'F']
  • Chemical System: As-Co-F-O
  • Density: 3.0543416805004315
  • Atomic Density: 0.06593037319206814
  • Unit Cell Volume: 1395.4114855680539
  • Molar Volume: 9.134091721969053
  • Full Formula: Co4 As12 O4 F72
  • Reduced Formula: CoAs3OF18
  • Formula Anonymous: ABC3D18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -430.3714142300001
  • Final energy per atom: -4.677950154673914
  • 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.