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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63554
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Ca', 'Si', 'B', 'H', 'O']
  • Chemical System: B-Ca-H-O-Si
  • Density: 2.95794403426852
  • Atomic Density: 0.1002118760176359
  • Unit Cell Volume: 359.2388590117253
  • Molar Volume: 6.009408265084457
  • Full Formula: Ca4 Si4 B4 H4 O20
  • Reduced Formula: CaSiBHO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m