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  1. Third-Parties
  2. MatprojStructure
  3. mp-541958

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-541958
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Pr', 'Mo', 'O']
  • Chemical System: Mo-O-Pr
  • Density: 6.767389446547036
  • Atomic Density: 0.08522782501754786
  • Unit Cell Volume: 445.8637773775882
  • Molar Volume: 7.065932703034579
  • Full Formula: Pr2 Mo12 O24
  • Reduced Formula: Pr(MoO2)6
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -329.91361119
  • Final energy per atom: -8.681937136578947
  • 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.