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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27531
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Sb']
  • Chemical System: Al-Ca-Sb
  • Density: 4.303764473217181
  • Atomic Density: 0.03420935195592214
  • Unit Cell Volume: 760.0260897517242
  • Molar Volume: 17.603784975989523
  • Full Formula: Ca10 Al4 Sb12
  • Reduced Formula: Ca5(AlSb3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm