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  1. Third-Parties
  2. MatprojStructure
  3. mp-772324

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-772324
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Li', 'Mg', 'Ni', 'O']
  • Chemical System: Li-Mg-Ni-O
  • Density: 4.203366469602979
  • Atomic Density: 0.1087328955899103
  • Unit Cell Volume: 275.9054639098915
  • Molar Volume: 5.538471800394889
  • Full Formula: Li6 Mg2 Ni6 O16
  • Reduced Formula: Li3MgNi3O8
  • Formula Anonymous: AB3C3D8
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -174.89944293
  • Final energy per atom: -5.829981430999999
  • 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.