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  1. Third-Parties
  2. MatprojStructure
  3. mp-727078

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-727078
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['U', 'C', 'O']
  • Chemical System: C-O-U
  • Density: 3.5706087294764726
  • Atomic Density: 0.06482129136906337
  • Unit Cell Volume: 740.4974351206538
  • Molar Volume: 9.290374555657383
  • Full Formula: U4 C16 O28
  • Reduced Formula: UC4O7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -406.63212524
  • Final energy per atom: -8.471502609166667
  • 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.