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  1. Third-Parties
  2. MatprojStructure
  3. mp-752876

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-752876
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'Ni', 'O']
  • Chemical System: Co-Li-Ni-O
  • Density: 4.781631997639947
  • Atomic Density: 0.10682859152522206
  • Unit Cell Volume: 131.05105852392168
  • Molar Volume: 5.637199436986101
  • Full Formula: Li2 Co3 Ni1 O8
  • Reduced Formula: Li2Co3NiO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -89.69154492000001
  • Final energy per atom: -6.406538922857144
  • 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.