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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214890

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-1214890
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Al', 'Co', 'O', 'F']
  • Chemical System: Al-Co-F-O
  • Density: 2.8473259731442266
  • Atomic Density: 0.08112764769555413
  • Unit Cell Volume: 345.1351147894114
  • Molar Volume: 7.423043723144975
  • Full Formula: Al2 Co2 O12 F12
  • Reduced Formula: AlCo(OF)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -130.24857847
  • Final energy per atom: -4.651734945357143
  • 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.