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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102226
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'C']
  • Chemical System: B-C-Ca
  • Density: 2.163158891735459
  • Atomic Density: 0.08764798505953386
  • Unit Cell Volume: 102.68347862060783
  • Molar Volume: 6.8708262442194545
  • Full Formula: Ca1 B2 C6
  • Reduced Formula: Ca(BC3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2