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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196293

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-1196293
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 6
  • Element list: ['K', 'Mo', 'H', 'S', 'O', 'F']
  • Chemical System: F-H-K-Mo-O-S
  • Density: 2.711439851517519
  • Atomic Density: 0.05159025833732499
  • Unit Cell Volume: 1046.709238145675
  • Molar Volume: 11.673019197973366
  • Full Formula: K10 Mo6 H4 S8 O4 F22
  • Reduced Formula: K5Mo3H2S4O2F11
  • Formula Anonymous: A2B2C3D4E5F11
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -293.58228091
  • Final energy per atom: -5.4367089057407405
  • 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.