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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-25403
  • 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: 160
  • Number of elements: 5
  • Element list: ['Ca', 'Li', 'N', 'O', 'Re']
  • Chemical System: Ca-Li-N-O-Re
  • Density: 8.69865275131814
  • Atomic Density: 0.1455723222122088
  • Unit Cell Volume: 1099.110033889266
  • Molar Volume: 4.136872084255957
  • Full Formula: Li24 Ca48 Re14 N62 O12
  • Reduced Formula: Li12Ca24Re7N31O6
  • Formula Anonymous: A6B7C12D24E31
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m