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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98347
  • 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: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'P', 'O']
  • Chemical System: Ba-Cu-O-P
  • Density: 4.158341089647498
  • Atomic Density: 0.061640061507661596
  • Unit Cell Volume: 210.90180123172257
  • Molar Volume: 9.769848719653652
  • Full Formula: Ba2 Cu1 P2 O8
  • Reduced Formula: Ba2Cu(PO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m