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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1438556
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Ir', 'N', 'W']
  • Chemical System: Ca-Ir-N-W
  • Density: 6.705370562772179
  • Atomic Density: 0.07474400038894573
  • Unit Cell Volume: 133.79000251475637
  • Molar Volume: 8.057022274246169
  • Full Formula: Ca2 Ir1 W1 N6
  • Reduced Formula: Ca2IrWN6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m