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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97463
  • 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: 72
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'O']
  • Chemical System: Ca-O-P
  • Density: 2.8670679011925264
  • Atomic Density: 0.07847261310259411
  • Unit Cell Volume: 917.5175536192238
  • Molar Volume: 7.6741942467580735
  • Full Formula: Ca8 P16 O48
  • Reduced Formula: Ca(PO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m