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  1. Third-Parties
  2. MatprojStructure
  3. mp-556278

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-556278
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 6
  • Element list: ['Bi', 'As', 'Se', 'S', 'O', 'F']
  • Chemical System: As-Bi-F-O-S-Se
  • Density: 3.5413250927873543
  • Atomic Density: 0.05901625757969789
  • Unit Cell Volume: 1931.6711136088202
  • Molar Volume: 10.204206445770408
  • Full Formula: Bi6 As9 Se4 S10 O20 F65
  • Reduced Formula: Bi6As9Se4S10(O4F13)5
  • Formula Anonymous: A4B6C9D10E20F65
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -594.49969009
  • Final energy per atom: -5.214909562192982
  • 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.