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  1. Third-Parties
  2. MatprojStructure
  3. mp-769122

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-769122
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Li', 'Sb', 'H', 'O', 'F']
  • Chemical System: F-H-Li-O-Sb
  • Density: 3.181066442008339
  • Atomic Density: 0.09293767802599921
  • Unit Cell Volume: 537.9949344765485
  • Molar Volume: 6.479762447169503
  • Full Formula: Li8 Sb4 H12 O6 F20
  • Reduced Formula: Li4Sb2H6O3F10
  • Formula Anonymous: A2B3C4D6E10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -253.50072882
  • Final energy per atom: -5.0700145764
  • 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.