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  1. Third-Parties
  2. MatprojStructure
  3. mp-1276403

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-1276403
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'Ni', 'O']
  • Chemical System: Co-Li-Ni-O
  • Density: 4.6855791297228935
  • Atomic Density: 0.11541602690113434
  • Unit Cell Volume: 207.9433909170904
  • Molar Volume: 5.217768209226766
  • Full Formula: Li6 Co4 Ni2 O12
  • Reduced Formula: Li3Co2NiO6
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -150.08669153
  • Final energy per atom: -6.2536121470833335
  • 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.