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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1536335
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cs', 'N', 'Ti']
  • Chemical System: Cs-N-Ti
  • Density: 8.452925113085927
  • Atomic Density: 0.08761170458103096
  • Unit Cell Volume: 114.14000044652855
  • Molar Volume: 6.873671490354579
  • Full Formula: Cs2 Ti6 N2
  • Reduced Formula: CsTi3N
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m