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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97675
  • 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: 104
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'B', 'O']
  • Chemical System: B-Ba-O-Y
  • Density: 4.034024050039489
  • Atomic Density: 0.07060081474804251
  • Unit Cell Volume: 1473.0708189579855
  • Molar Volume: 8.529845981936026
  • Full Formula: Ba12 Y8 B24 O60
  • Reduced Formula: Ba3Y2(B2O5)3
  • Formula Anonymous: A2B3C6D15
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3