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  1. Third-Parties
  2. MatprojStructure
  3. mp-559219

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-559219
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 3
  • Element list: ['Zr', 'P', 'O']
  • Chemical System: O-P-Zr
  • Density: 3.0564308294761444
  • Atomic Density: 0.07686004845513242
  • Unit Cell Volume: 1769.4498342580532
  • Molar Volume: 7.835202918868137
  • Full Formula: Zr8 P32 O96
  • Reduced Formula: Zr(PO3)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1103.13404065
  • Final energy per atom: -8.111279710661766
  • 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.