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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-646422
  • 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: 1.943414595180911
  • Atomic Density: 0.07855283789836144
  • Unit Cell Volume: 432.8296839382453
  • Molar Volume: 7.666356711124778
  • Full Formula: K2 P2 H10 C4 S4 N6 O6
  • Reduced Formula: KPH5C2S2(NO)3
  • Formula Anonymous: ABC2D2E3F3G5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1