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  1. Third-Parties
  2. MatprojStructure
  3. mp-554574

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-554574
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Sb', 'Au', 'Xe', 'F']
  • Chemical System: Au-F-Sb-Xe
  • Density: 4.007112976481627
  • Atomic Density: 0.045974640716850916
  • Unit Cell Volume: 1348.569538190548
  • Molar Volume: 13.098831586502703
  • Full Formula: Sb8 Au2 Xe8 F44
  • Reduced Formula: Sb4Au(Xe2F11)2
  • Formula Anonymous: AB4C4D22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -257.10677182
  • Final energy per atom: -4.146883416451613
  • 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.