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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3783
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'Br']
  • Chemical System: As-Br-Ca
  • Density: 3.5178951178126243
  • Atomic Density: 0.03410160175187553
  • Unit Cell Volume: 205.26895044204227
  • Molar Volume: 17.659407331706323
  • Full Formula: Ca3 As1 Br3
  • Reduced Formula: Ca3AsBr3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m