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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-654969
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['C', 'Ce', 'I', 'N']
  • Chemical System: C-Ce-I-N
  • Density: 4.577733350034673
  • Atomic Density: 0.024542698853945985
  • Unit Cell Volume: 1955.7751283038924
  • Molar Volume: 24.537402328235622
  • Full Formula: Ce16 C4 I24 N4
  • Reduced Formula: Ce4CI6N
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm