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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197471

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-1197471
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Li', 'As', 'Xe', 'F']
  • Chemical System: As-F-Li-Xe
  • Density: 3.2383358177235153
  • Atomic Density: 0.04711078148232903
  • Unit Cell Volume: 721.7031628471966
  • Molar Volume: 12.782935392950058
  • Full Formula: Li2 As2 Xe6 F24
  • Reduced Formula: LiAs(XeF4)3
  • Formula Anonymous: ABC3D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -116.80070698
  • Final energy per atom: -3.4353149111764707
  • 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.