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  1. Third-Parties
  2. MatprojStructure
  3. mp-560107

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-560107
  • 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: 56
  • Number of elements: 4
  • Element list: ['Sb', 'As', 'S', 'F']
  • Chemical System: As-F-S-Sb
  • Density: 2.9999892104320103
  • Atomic Density: 0.042958499965897755
  • Unit Cell Volume: 1303.5836922717303
  • Molar Volume: 14.018508013037295
  • Full Formula: Sb4 As12 S16 F24
  • Reduced Formula: SbAs3(S2F3)2
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -274.54547322
  • Final energy per atom: -4.902597736071429
  • 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.