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  1. Third-Parties
  2. MatprojStructure
  3. mp-559282

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-559282
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cd', 'B', 'Xe', 'F']
  • Chemical System: B-Cd-F-Xe
  • Density: 3.5354879919438895
  • Atomic Density: 0.06546679579901524
  • Unit Cell Volume: 855.3954614171352
  • Molar Volume: 9.198771203784172
  • Full Formula: Cd4 B8 Xe4 F40
  • Reduced Formula: CdB2XeF10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -275.05872496
  • Final energy per atom: -4.911762945714286
  • 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.