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  1. Third-Parties
  2. MatprojStructure
  3. mp-672342

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-672342
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['As', 'Xe', 'O', 'F']
  • Chemical System: As-F-O-Xe
  • Density: 3.4550250481294498
  • Atomic Density: 0.05815051317405951
  • Unit Cell Volume: 1100.5921789276642
  • Molar Volume: 10.356126595089844
  • Full Formula: As4 Xe8 O16 F36
  • Reduced Formula: AsXe2O4F9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -224.01888764
  • Final energy per atom: -3.500295119375
  • 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.