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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50790
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'O']
  • Chemical System: Ca-O-P
  • Density: 2.9211162129444417
  • Atomic Density: 0.07372824313462473
  • Unit Cell Volume: 176.32320325689216
  • Molar Volume: 8.168024225131502
  • Full Formula: Ca3 P2 O8
  • Reduced Formula: Ca3(PO4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m