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  1. Third-Parties
  2. MatprojStructure
  3. mp-560231

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-560231
  • 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: 33
  • Number of elements: 4
  • Element list: ['Cu', 'Sb', 'Xe', 'F']
  • Chemical System: Cu-F-Sb-Xe
  • Density: 3.644231076189028
  • Atomic Density: 0.046700224516924245
  • Unit Cell Volume: 706.6347183842926
  • Molar Volume: 12.89531436367627
  • Full Formula: Cu1 Sb2 Xe6 F24
  • Reduced Formula: CuSb2(XeF4)6
  • Formula Anonymous: AB2C6D24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -110.331908
  • Final energy per atom: -3.3433911515151515
  • 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.