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  1. Third-Parties
  2. MatprojStructure
  3. mp-554788

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-554788
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['As', 'S', 'Xe', 'N', 'F']
  • Chemical System: As-F-N-S-Xe
  • Density: 3.0066219442608615
  • Atomic Density: 0.057315218678021806
  • Unit Cell Volume: 1954.1057782432874
  • Molar Volume: 10.507053621884307
  • Full Formula: As8 S8 Xe8 N8 F80
  • Reduced Formula: AsSXeNF10
  • Formula Anonymous: ABCDE10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -472.09411234
  • Final energy per atom: -4.2151260030357145
  • 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.