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  1. Third-Parties
  2. MatprojStructure
  3. mp-704604

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-704604
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['Zr', 'Mo', 'O']
  • Chemical System: Mo-O-Zr
  • Density: 3.649574494485265
  • Atomic Density: 0.058808376324353005
  • Unit Cell Volume: 1122.2891044633193
  • Molar Volume: 10.240277212867353
  • Full Formula: Zr6 Mo12 O48
  • Reduced Formula: Zr(MoO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -581.11091099
  • Final energy per atom: -8.804710772575758
  • 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.