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  1. Third-Parties
  2. MatprojStructure
  3. mp-764661

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-764661
  • 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: 30
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'Ni', 'O']
  • Chemical System: Co-Li-Ni-O
  • Density: 4.892762046121077
  • Atomic Density: 0.11514777108347157
  • Unit Cell Volume: 260.5347868892117
  • Molar Volume: 5.229923865078119
  • Full Formula: Li6 Co2 Ni6 O16
  • Reduced Formula: Li3CoNi3O8
  • Formula Anonymous: AB3C3D8
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -180.72960063
  • Final energy per atom: -6.024320020999999
  • 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.