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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97877
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'O']
  • Chemical System: Ca-O-P
  • Density: 2.8863203357565475
  • Atomic Density: 0.07753261354640699
  • Unit Cell Volume: 748.0722930265239
  • Molar Volume: 7.767235598727058
  • Full Formula: Ca8 P12 O38
  • Reduced Formula: Ca4P6O19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1