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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198499

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-1198499
  • 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: 108
  • Number of elements: 5
  • Element list: ['Co', 'As', 'S', 'O', 'F']
  • Chemical System: As-Co-F-O-S
  • Density: 2.45634756799868
  • Atomic Density: 0.05763196917662394
  • Unit Cell Volume: 1873.9599139674337
  • Molar Volume: 10.449305907879054
  • Full Formula: Co4 As8 S16 O32 F48
  • Reduced Formula: CoAs2S4(O2F3)4
  • Formula Anonymous: AB2C4D8E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -598.09987367
  • Final energy per atom: -5.537961793240741
  • 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.