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  1. Third-Parties
  2. MatprojStructure
  3. mp-755590

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-755590
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'Bi', 'O']
  • Chemical System: Bi-Li-Ni-O
  • Density: 5.676590151026034
  • Atomic Density: 0.09082535910950208
  • Unit Cell Volume: 154.1419724321831
  • Molar Volume: 6.630461821504616
  • Full Formula: Li2 Ni3 Bi1 O8
  • Reduced Formula: Li2Ni3BiO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -83.4537955
  • Final energy per atom: -5.960985392857142
  • 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.