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  1. Third-Parties
  2. MatprojStructure
  3. mp-753795

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-753795
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Li', 'Bi', 'O']
  • Chemical System: Bi-Li-O
  • Density: 5.016437770747357
  • Atomic Density: 0.07612190162246261
  • Unit Cell Volume: 367.8310631133465
  • Molar Volume: 7.9111801356036295
  • Full Formula: Li12 Bi4 O12
  • Reduced Formula: Li3BiO3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -150.12817892
  • Final energy per atom: -5.361720675714286
  • 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.