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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33059
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-O
  • Density: 2.2542242161297796
  • Atomic Density: 0.10738895575673217
  • Unit Cell Volume: 139.67916806994052
  • Molar Volume: 5.607784075712528
  • Full Formula: Cu1 H6 N4 O4
  • Reduced Formula: CuH6(NO)4
  • Formula Anonymous: AB4C4D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1