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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-646423
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 34
  • Number of elements: 7
  • Element list: ['C', 'H', 'K', 'N', 'O', 'P', 'S']
  • Chemical System: C-H-K-N-O-P-S
  • Density: 2.0106971932961706
  • Atomic Density: 0.0867766279369491
  • Unit Cell Volume: 391.8105693701766
  • Molar Volume: 6.939818823538083
  • Full Formula: K2 P2 H10 C4 S2 N6 O8
  • Reduced Formula: KPH5C2SN3O4
  • Formula Anonymous: ABCD2E3F4G5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1