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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19083
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Y', 'O']
  • Chemical System: Ba-O-Y
  • Density: 5.697697540599443
  • Atomic Density: 0.06335092584507812
  • Unit Cell Volume: 441.9824908079916
  • Molar Volume: 9.50600276107547
  • Full Formula: Ba4 Y8 O16
  • Reduced Formula: BaY2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm