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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36467
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Sb', 'P']
  • Chemical System: Ca-P-Sb
  • Density: 2.9423905743790146
  • Atomic Density: 0.03245711157629513
  • Unit Cell Volume: 154.04944424111113
  • Molar Volume: 18.554148744394855
  • Full Formula: Ca3 Sb1 P1
  • Reduced Formula: Ca3SbP
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m