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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204339

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-1204339
  • 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: 94
  • Number of elements: 4
  • Element list: ['U', 'Cr', 'H', 'O']
  • Chemical System: Cr-H-O-U
  • Density: 2.69223410560289
  • Atomic Density: 0.0898448316333555
  • Unit Cell Volume: 1046.2482737304374
  • Molar Volume: 6.7028238024592595
  • Full Formula: U2 Cr8 H36 O48
  • Reduced Formula: UCr4(H3O4)6
  • Formula Anonymous: AB4C18D24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -602.53888349
  • Final energy per atom: -6.409988122234043
  • 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.