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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217654

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-1217654
  • 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: 87
  • Number of elements: 3
  • Element list: ['U', 'Mo', 'O']
  • Chemical System: Mo-O-U
  • Density: 4.95010082725283
  • Atomic Density: 0.07092139217144768
  • Unit Cell Volume: 1226.7102680342678
  • Molar Volume: 8.491289546942172
  • Full Formula: U3 Mo20 O64
  • Reduced Formula: U3(Mo5O16)4
  • Formula Anonymous: A3B20C64
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -754.50778686
  • Final energy per atom: -8.672503297241379
  • 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.