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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98352
  • 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: 44
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'O']
  • Chemical System: Ba-O-P
  • Density: 4.071237085043991
  • Atomic Density: 0.06011921525000834
  • Unit Cell Volume: 731.8791474077649
  • Molar Volume: 10.016998284087158
  • Full Formula: Ba8 P8 O28
  • Reduced Formula: Ba2P2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm