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  1. Third-Parties
  2. MatprojStructure
  3. mp-1349433

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-1349433
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Ni', 'O']
  • Chemical System: Cr-Li-Ni-O
  • Density: 4.0804317902592055
  • Atomic Density: 0.0964836621815253
  • Unit Cell Volume: 580.4091463137153
  • Molar Volume: 6.241617102665408
  • Full Formula: Li8 Cr12 Ni4 O32
  • Reduced Formula: Li2Cr3NiO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -412.95525938
  • Final energy per atom: -7.374201060357143
  • 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.