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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4062
  • 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', 'P', 'Cl']
  • Chemical System: Ca-Cl-P
  • Density: 2.351160633711698
  • Atomic Density: 0.03848056374344213
  • Unit Cell Volume: 181.91001687684323
  • Molar Volume: 15.649824675518936
  • Full Formula: Ca3 P1 Cl3
  • Reduced Formula: Ca3PCl3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m