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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195399

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-1195399
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Hg', 'Sb', 'Xe', 'F']
  • Chemical System: F-Hg-Sb-Xe
  • Density: 3.904554951642053
  • Atomic Density: 0.046453399065265584
  • Unit Cell Volume: 2583.234002562519
  • Molar Volume: 12.963832316208075
  • Full Formula: Hg4 Sb8 Xe20 F88
  • Reduced Formula: HgSb2Xe5F22
  • Formula Anonymous: AB2C5D22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -400.79914361
  • Final energy per atom: -3.3399928634166667
  • 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.