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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29225
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-O-P
  • Density: 2.738350559525969
  • Atomic Density: 0.09373468089659044
  • Unit Cell Volume: 469.41003670286653
  • Molar Volume: 6.424666625412337
  • Full Formula: Cu4 P8 H16 O16
  • Reduced Formula: CuP2(HO)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm