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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194957

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-1194957
  • 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: 78
  • Number of elements: 5
  • Element list: ['Hg', 'Te', 'Xe', 'O', 'F']
  • Chemical System: F-Hg-O-Te-Xe
  • Density: 4.08004864451602
  • Atomic Density: 0.05142463810250738
  • Unit Cell Volume: 1516.782672238132
  • Molar Volume: 11.710613787880739
  • Full Formula: Hg4 Te8 Xe6 O8 F52
  • Reduced Formula: Hg2Te4Xe3(O2F13)2
  • Formula Anonymous: A2B3C4D4E26
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -306.61291375
  • Final energy per atom: -3.930934791666667
  • 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.