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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50984
  • 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: 14
  • Number of elements: 3
  • Element list: ['Pr', 'H', 'O']
  • Chemical System: H-O-Pr
  • Density: 4.625648035076689
  • Atomic Density: 0.10159665521309473
  • Unit Cell Volume: 137.79981211621177
  • Molar Volume: 5.927499037609863
  • Full Formula: Pr2 H6 O6
  • Reduced Formula: Pr(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m