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  1. Third-Parties
  2. MatprojStructure
  3. mp-777963

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-777963
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 5
  • Element list: ['Li', 'Sb', 'H', 'S', 'O']
  • Chemical System: H-Li-O-S-Sb
  • Density: 1.871472245731574
  • Atomic Density: 0.09110327304432228
  • Unit Cell Volume: 1536.7175659198235
  • Molar Volume: 6.610235350238397
  • Full Formula: Li12 Sb4 H72 S16 O36
  • Reduced Formula: Li3SbH18S4O9
  • Formula Anonymous: AB3C4D9E18
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -700.3910585
  • Final energy per atom: -5.002793275
  • 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.