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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97546
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['Cu', 'H', 'Se', 'N', 'O']
  • Chemical System: Cu-H-N-O-Se
  • Density: 2.3228075153812164
  • Atomic Density: 0.1105165609963131
  • Unit Cell Volume: 705.7765758979971
  • Molar Volume: 5.4490844681648225
  • Full Formula: Cu2 H40 Se4 N4 O28
  • Reduced Formula: CuH20Se2(NO7)2
  • Formula Anonymous: AB2C2D14E20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m