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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189847

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-1189847
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['K', 'H', 'W', 'S', 'O']
  • Chemical System: H-K-O-S-W
  • Density: 2.7913342618761345
  • Atomic Density: 0.03765619061194203
  • Unit Cell Volume: 531.1211695868496
  • Molar Volume: 15.992432219339197
  • Full Formula: K6 H2 W2 S8 O2
  • Reduced Formula: K3HWS4O
  • Formula Anonymous: ABCD3E4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -106.24273001999998
  • Final energy per atom: -5.3121365009999995
  • 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.