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  1. Third-Parties
  2. MatprojStructure
  3. mp-707540

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-707540
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Zr', 'P', 'H', 'O']
  • Chemical System: H-O-P-Zr
  • Density: 2.605559808818033
  • Atomic Density: 0.07203254022108077
  • Unit Cell Volume: 721.8959631355868
  • Molar Volume: 8.360305969381297
  • Full Formula: Zr4 P8 H8 O32
  • Reduced Formula: ZrP2(HO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 110
  • Spacegroup Symbol: I4_1cd
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -402.75879971
  • Final energy per atom: -7.7453615328846155
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.