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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-111952
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Mg', 'Ni', 'O']
  • Chemical System: Li-Mg-Ni-O
  • Density: 4.864028608177301
  • Atomic Density: 0.1148991213433721
  • Unit Cell Volume: 139.25258794786208
  • Molar Volume: 5.241241786351906
  • Full Formula: Li3 Mg1 Ni4 O8
  • Reduced Formula: Li3Mg(NiO2)4
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m