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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97365
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'O']
  • Chemical System: Ba-O-P
  • Density: 3.8747374044522562
  • Atomic Density: 0.07112380851675432
  • Unit Cell Volume: 506.1596215213875
  • Molar Volume: 8.467123577305893
  • Full Formula: Ba4 P8 O24
  • Reduced Formula: Ba(PO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222