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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95209
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ca', 'H', 'N', 'O']
  • Chemical System: Ca-H-N-O
  • Density: 2.033553134207656
  • Atomic Density: 0.0994091130507703
  • Unit Cell Volume: 523.0908757172244
  • Molar Volume: 6.057936315078445
  • Full Formula: Ca4 H16 N24 O8
  • Reduced Formula: CaH4(N3O)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m