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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10776
  • 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: 15
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Ir']
  • Chemical System: Ca-Ir-P
  • Density: 8.824037808020973
  • Atomic Density: 0.054618724835396655
  • Unit Cell Volume: 274.6310911725822
  • Molar Volume: 11.025780587424558
  • Full Formula: Ca3 P6 Ir6
  • Reduced Formula: Ca(PIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321