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  1. Third-Parties
  2. MatprojStructure
  3. mp-757916

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-757916
  • 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: 3
  • Element list: ['Bi', 'As', 'O']
  • Chemical System: As-Bi-O
  • Density: 8.618419272360109
  • Atomic Density: 0.059005723210220073
  • Unit Cell Volume: 559.2677829306606
  • Molar Volume: 10.206028216186555
  • Full Formula: Bi12 As1 O20
  • Reduced Formula: Bi12AsO20
  • Formula Anonymous: AB12C20
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -204.45401973
  • Final energy per atom: -6.195576355454546
  • 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.