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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213623

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-1213623
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'O']
  • Chemical System: Li-Ni-O
  • Density: 0.19199580221610435
  • Atomic Density: 0.00658770042227158
  • Unit Cell Volume: 1517.9803814684983
  • Molar Volume: 91.41491528121792
  • Full Formula: Li3 Ni1 O6
  • Reduced Formula: Li3NiO6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -38.38010221
  • Final energy per atom: -3.8380102209999998
  • 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.