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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105780

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-1105780
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Bi', 'O']
  • Chemical System: Bi-O
  • Density: 9.441434992878591
  • Atomic Density: 0.061011430751582496
  • Unit Cell Volume: 327.8074248321286
  • Molar Volume: 9.870512272560989
  • Full Formula: Bi8 O12
  • Reduced Formula: Bi2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -122.39793387999998
  • Final energy per atom: -6.1198966939999995
  • 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.