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  1. Third-Parties
  2. MatprojStructure
  3. mp-769526

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-769526
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Li', 'Mg', 'Ni', 'O']
  • Chemical System: Li-Mg-Ni-O
  • Density: 4.591673793698077
  • Atomic Density: 0.11587953698838516
  • Unit Cell Volume: 267.519191098487
  • Molar Volume: 5.196897499343317
  • Full Formula: Li7 Mg1 Ni7 O16
  • Reduced Formula: Li7MgNi7O16
  • Formula Anonymous: AB7C7D16
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -180.89580215
  • Final energy per atom: -5.835348456451613
  • 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.