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  1. Third-Parties
  2. MatprojStructure
  3. mp-754314

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-754314
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Ni', 'O']
  • Chemical System: Cr-Li-Ni-O
  • Density: 4.202813879011431
  • Atomic Density: 0.10931810942575731
  • Unit Cell Volume: 146.36184328513562
  • Molar Volume: 5.508822638475922
  • Full Formula: Li4 Cr3 Ni1 O8
  • Reduced Formula: Li4Cr3NiO8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -116.84230348
  • Final energy per atom: -7.3026439675
  • 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.