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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96769
  • 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: 40
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'O']
  • Chemical System: Ba-O-P
  • Density: 4.045807217209435
  • Atomic Density: 0.06550735462573189
  • Unit Cell Volume: 610.6184599963625
  • Molar Volume: 9.19307579188131
  • Full Formula: Ba6 P8 O26
  • Reduced Formula: Ba3P4O13
  • Formula Anonymous: A3B4C13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1