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  1. Third-Parties
  2. MatprojStructure
  3. mp-772910

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-772910
  • 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: 32
  • Number of elements: 3
  • Element list: ['Bi', 'I', 'O']
  • Chemical System: Bi-I-O
  • Density: 7.850480828625467
  • Atomic Density: 0.04624524266122708
  • Unit Cell Volume: 691.9630681672135
  • Molar Volume: 13.022184366326359
  • Full Formula: Bi12 I4 O16
  • Reduced Formula: Bi3IO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -180.99993239
  • Final energy per atom: -5.6562478871875
  • 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.