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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196522

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-1196522
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 246
  • Number of elements: 5
  • Element list: ['U', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-U
  • Density: 1.8373860452379511
  • Atomic Density: 0.07858594995635801
  • Unit Cell Volume: 3130.3305506469524
  • Molar Volume: 7.6631265046033565
  • Full Formula: U6 H102 C60 N18 O60
  • Reduced Formula: UH17C10N3O10
  • Formula Anonymous: AB3C10D10E17
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -1644.92242224
  • Final energy per atom: -6.686676513170732
  • 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.