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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1361269
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['As', 'Be', 'Cs', 'Sb']
  • Chemical System: As-Be-Cs-Sb
  • Density: 3.683891893946425
  • Atomic Density: 0.04176528721529881
  • Unit Cell Volume: 2298.5595550947096
  • Molar Volume: 14.419009568774289
  • Full Formula: Cs12 Be48 Sb8 As28
  • Reduced Formula: Cs3Be12Sb2As7
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm