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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-687421
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['B', 'Mg', 'O', 'Ta']
  • Chemical System: B-Mg-O-Ta
  • Density: 4.318906559920366
  • Atomic Density: 0.10366135821111488
  • Unit Cell Volume: 810.3308836541297
  • Molar Volume: 5.809436480405181
  • Full Formula: Mg20 Ta4 B12 O48
  • Reduced Formula: Mg5Ta(BO4)3
  • Formula Anonymous: AB3C5D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm