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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-683486
  • Created at: Sept. 4, 2022, 3:36 p.m.
  • Last updated at: Sept. 4, 2022, 3:36 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['Ca', 'Li', 'Mo', 'N', 'O']
  • Chemical System: Ca-Li-Mo-N-O
  • Density: 3.568136340847281
  • Atomic Density: 0.07475943274329047
  • Unit Cell Volume: 1096.851554259009
  • Molar Volume: 8.055359088503085
  • Full Formula: Li12 Ca24 Mo8 N32 O6
  • Reduced Formula: Li6Ca12Mo4N16O3
  • Formula Anonymous: A3B4C6D12E16
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m