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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-27030
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Ca', 'Li', 'N', 'Si']
  • Chemical System: Ca-Li-N-Si
  • Density: 2.8447618754038295
  • Atomic Density: 0.09279372261461917
  • Unit Cell Volume: 1163.871832672711
  • Molar Volume: 6.489814817550215
  • Full Formula: Li24 Ca12 Si24 N48
  • Reduced Formula: Li2Ca(SiN2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3