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  1. Third-Parties
  2. MatprojStructure
  3. mp-12540

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-12540
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Zr', 'Mo', 'P', 'O']
  • Chemical System: Mo-O-P-Zr
  • Density: 3.1634558996186213
  • Atomic Density: 0.060838995348361034
  • Unit Cell Volume: 1117.7041897328418
  • Molar Volume: 9.898488174430764
  • Full Formula: Zr8 Mo4 P8 O48
  • Reduced Formula: Zr2Mo(PO6)2
  • Formula Anonymous: AB2C2D12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -596.53173163
  • Final energy per atom: -8.772525465147059
  • 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.