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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224934

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-1224934
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 3
  • Element list: ['Ga', 'O', 'F']
  • Chemical System: F-Ga-O
  • Density: 3.680134187991872
  • Atomic Density: 0.07067157087823821
  • Unit Cell Volume: 693.3481085969252
  • Molar Volume: 8.521305929898876
  • Full Formula: Ga12 O1 F36
  • Reduced Formula: Ga12OF36
  • Formula Anonymous: AB12C36
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -248.31856716
  • Final energy per atom: -5.067725860408163
  • 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.