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  1. Third-Parties
  2. MatprojStructure
  3. mp-728536

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-728536
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 4
  • Element list: ['U', 'C', 'N', 'O']
  • Chemical System: C-N-O-U
  • Density: 1.9581818138924796
  • Atomic Density: 0.054225784386181974
  • Unit Cell Volume: 2286.7350173656164
  • Molar Volume: 11.105677544674828
  • Full Formula: U4 C20 N48 O52
  • Reduced Formula: UC5N12O13
  • Formula Anonymous: AB5C12D13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -903.88866978
  • Final energy per atom: -7.289424756290322
  • 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.