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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201586

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-1201586
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Zr', 'P', 'O']
  • Chemical System: O-P-Zr
  • Density: 2.5806740367931496
  • Atomic Density: 0.06080129361850841
  • Unit Cell Volume: 723.6688132998216
  • Molar Volume: 9.904626039349285
  • Full Formula: Zr4 P8 O32
  • Reduced Formula: Zr(PO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 110
  • Spacegroup Symbol: I4_1cd
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -352.34975798
  • Final energy per atom: -8.007949045
  • 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.