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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105131
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ca', 'Pr']
  • Chemical System: Ca-Pr
  • Density: 5.315117107168791
  • Atomic Density: 0.027664924530786623
  • Unit Cell Volume: 289.17483548878954
  • Molar Volume: 21.768144544541677
  • Full Formula: Ca2 Pr6
  • Reduced Formula: CaPr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm