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  1. Third-Parties
  2. MatprojStructure
  3. mp-560077

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-560077
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['As', 'S', 'Xe', 'O', 'F']
  • Chemical System: As-F-O-S-Xe
  • Density: 3.151809528647256
  • Atomic Density: 0.051599173049168355
  • Unit Cell Volume: 1240.3299552691478
  • Molar Volume: 11.671002467930176
  • Full Formula: As4 S4 Xe8 O12 F36
  • Reduced Formula: AsSXe2(OF3)3
  • Formula Anonymous: ABC2D3E9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -268.87135398
  • Final energy per atom: -4.2011149059375
  • 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.