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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-688208
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['C', 'H', 'Ni', 'O', 'P']
  • Chemical System: C-H-Ni-O-P
  • Density: 1.9560463358864637
  • Atomic Density: 0.12715873547804127
  • Unit Cell Volume: 707.7767772827679
  • Molar Volume: 4.735923754951109
  • Full Formula: Ni2 P4 H48 C8 O28
  • Reduced Formula: NiP2H24(C2O7)2
  • Formula Anonymous: AB2C4D14E24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m