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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12585
  • 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: 11
  • Number of elements: 4
  • Element list: ['Zr', 'P', 'H', 'O']
  • Chemical System: H-O-P-Zr
  • Density: 2.981522723609385
  • Atomic Density: 0.07863032633907847
  • Unit Cell Volume: 139.89513349549856
  • Molar Volume: 7.658801686808029
  • Full Formula: Zr1 P2 H2 O6
  • Reduced Formula: ZrP2(HO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1