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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98615
  • 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: 52
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'B', 'O']
  • Chemical System: B-Ca-La-O
  • Density: 4.477697864919029
  • Atomic Density: 0.0843684147381485
  • Unit Cell Volume: 616.3444004653958
  • Molar Volume: 7.137909108154659
  • Full Formula: Ca6 La6 B10 O30
  • Reduced Formula: Ca3La3(BO3)5
  • Formula Anonymous: A3B3C5D15
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm