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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62718
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'C']
  • Chemical System: B-C-Ca
  • Density: 2.641419249492718
  • Atomic Density: 0.09278312377140262
  • Unit Cell Volume: 107.77822079624974
  • Molar Volume: 6.490556164973753
  • Full Formula: Ca2 B4 C4
  • Reduced Formula: Ca(BC)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 131
  • Spacegroup Symbol: P4_2/mmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm