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  1. Third-Parties
  2. MatprojStructure
  3. mp-636934

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-636934
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 2
  • Element list: ['Bi', 'O']
  • Chemical System: Bi-O
  • Density: 7.30233619031341
  • Atomic Density: 0.04718837540438812
  • Unit Cell Volume: 635.7497952177912
  • Molar Volume: 12.761915849809045
  • Full Formula: Bi12 O18
  • Reduced Formula: Bi2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -176.73511661
  • Final energy per atom: -5.891170553666667
  • 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.