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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10667
  • 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: 14
  • Number of elements: 3
  • Element list: ['Pr', 'Zn', 'P']
  • Chemical System: P-Pr-Zn
  • Density: 4.938303415779964
  • Atomic Density: 0.0484062864022067
  • Unit Cell Volume: 289.2186333748953
  • Molar Volume: 12.440823718560381
  • Full Formula: Pr2 Zn6 P6
  • Reduced Formula: Pr(ZnP)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm