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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116456
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Au', 'F']
  • Chemical System: Au-Ca-F
  • Density: 6.006536597273688
  • Atomic Density: 0.06150903978638408
  • Unit Cell Volume: 81.28886448828653
  • Molar Volume: 9.790659683380538
  • Full Formula: Ca1 Au1 F3
  • Reduced Formula: CaAuF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m