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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-7075
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 100
  • Number of elements: 6
  • Element list: ['Be', 'Ca', 'F', 'Li', 'O', 'Si']
  • Chemical System: Be-Ca-F-Li-O-Si
  • Density: 3.140576716150888
  • Atomic Density: 0.0994586068097526
  • Unit Cell Volume: 1005.4434021108198
  • Molar Volume: 6.054921693724639
  • Full Formula: Li8 Ca12 Be12 Si12 O48 F8
  • Reduced Formula: Li2Ca3Be3Si3(O6F)2
  • Formula Anonymous: A2B2C3D3E3F12
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23