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  1. Third-Parties
  2. MatprojStructure
  3. mp-768971

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-768971
  • 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: 40
  • Number of elements: 3
  • Element list: ['Li', 'Bi', 'O']
  • Chemical System: Bi-Li-O
  • Density: 7.7008772104437355
  • Atomic Density: 0.06353901395765651
  • Unit Cell Volume: 629.5344782444481
  • Molar Volume: 9.47786310315306
  • Full Formula: Li4 Bi12 O24
  • Reduced Formula: Li(BiO2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -236.19543832
  • Final energy per atom: -5.9048859579999995
  • 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.