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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196390

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-1196390
  • 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: 112
  • Number of elements: 4
  • Element list: ['Cu', 'Sb', 'Xe', 'F']
  • Chemical System: Cu-F-Sb-Xe
  • Density: 3.554048052829835
  • Atomic Density: 0.06010370358083204
  • Unit Cell Volume: 1863.445899791747
  • Molar Volume: 10.019583488563175
  • Full Formula: Cu4 Sb12 Xe4 F92
  • Reduced Formula: CuSb3XeF23
  • Formula Anonymous: ABC3D23
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -475.46186251
  • Final energy per atom: -4.245195200982143
  • 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.