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  1. Third-Parties
  2. MatprojStructure
  3. mp-636731

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-636731
  • 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: 22
  • Number of elements: 3
  • Element list: ['Zr', 'Mo', 'O']
  • Chemical System: Mo-O-Zr
  • Density: 3.2764435749667298
  • Atomic Density: 0.052795833337093666
  • Unit Cell Volume: 416.6995501242157
  • Molar Volume: 11.406469752166831
  • Full Formula: Zr2 Mo4 O16
  • Reduced Formula: Zr(MoO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -193.88740737
  • Final energy per atom: -8.813063971363636
  • 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.