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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56960
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Br']
  • Chemical System: Br-Ca-Si
  • Density: 3.027852027715778
  • Atomic Density: 0.035506375349796115
  • Unit Cell Volume: 168.98373717086426
  • Molar Volume: 16.960730856563142
  • Full Formula: Ca3 Si1 Br2
  • Reduced Formula: Ca3SiBr2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2