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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116890
  • 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: 15
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Cu', 'O']
  • Chemical System: Cu-Fe-Li-O
  • Density: 4.7028519265735405
  • Atomic Density: 0.10746705152318127
  • Unit Cell Volume: 139.57766392022407
  • Molar Volume: 5.603708927197085
  • Full Formula: Li3 Fe1 Cu3 O8
  • Reduced Formula: Li3FeCu3O8
  • Formula Anonymous: AB3C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m