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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20344
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ca', 'As']
  • Chemical System: As-Ca
  • Density: 3.62958463230165
  • Atomic Density: 0.038013818419554486
  • Unit Cell Volume: 315.67468091622027
  • Molar Volume: 15.841978023713034
  • Full Formula: Ca6 As6
  • Reduced Formula: CaAs
  • Formula Anonymous: AB
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m