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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34798
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ca', 'P', 'H', 'O']
  • Chemical System: Ca-H-O-P
  • Density: 2.061960622380589
  • Atomic Density: 0.08032206134831586
  • Unit Cell Volume: 273.8973531144477
  • Molar Volume: 7.49749279203013
  • Full Formula: Ca2 P4 H8 O8
  • Reduced Formula: CaP2(HO)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m