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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199760

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-1199760
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 184
  • Number of elements: 5
  • Element list: ['U', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-U
  • Density: 2.0306199564152636
  • Atomic Density: 0.08623973826205669
  • Unit Cell Volume: 2133.5871804350704
  • Molar Volume: 6.983023002343214
  • Full Formula: U4 H72 C16 N40 O52
  • Reduced Formula: UH18C4N10O13
  • Formula Anonymous: AB4C10D13E18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1218.39516786
  • Final energy per atom: -6.621712868804347
  • 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.