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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228534

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-1228534
  • 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: 128
  • Number of elements: 4
  • Element list: ['Bi', 'Mo', 'As', 'O']
  • Chemical System: As-Bi-Mo-O
  • Density: 6.753673712323261
  • Atomic Density: 0.06213662387030746
  • Unit Cell Volume: 2059.9767420123053
  • Molar Volume: 9.691773361503365
  • Full Formula: Bi26 Mo12 As6 O84
  • Reduced Formula: Bi13Mo6(AsO14)3
  • Formula Anonymous: A3B6C13D42
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -909.21707806
  • Final energy per atom: -7.10325842234375
  • 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.