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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227891

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-1227891
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Cs', 'W', 'S', 'O']
  • Chemical System: Cs-O-S-W
  • Density: 3.429552692347272
  • Atomic Density: 0.030856940350174823
  • Unit Cell Volume: 1101.8590830509017
  • Molar Volume: 19.51632498769724
  • Full Formula: Cs4 W6 S16 O8
  • Reduced Formula: Cs2W3(S2O)4
  • Formula Anonymous: A2B3C4D8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -201.04537388
  • Final energy per atom: -5.913099231764706
  • 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.