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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213673

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-1213673
  • 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: 12
  • Number of elements: 6
  • Element list: ['Cs', 'Li', 'H', 'W', 'S', 'O']
  • Chemical System: Cs-H-Li-O-S-W
  • Density: 4.759156849636017
  • Atomic Density: 0.05813240402903133
  • Unit Cell Volume: 206.42531820991263
  • Molar Volume: 10.359352689065707
  • Full Formula: Cs1 Li1 H4 W2 S1 O3
  • Reduced Formula: CsLiH4W2SO3
  • Formula Anonymous: ABCD2E3F4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -64.61532183
  • Final energy per atom: -5.3846101525
  • 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.