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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196277

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-1196277
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['U', 'H', 'C', 'Se', 'N', 'O']
  • Chemical System: C-H-N-O-Se-U
  • Density: 3.1268606587259695
  • Atomic Density: 0.06973341305589573
  • Unit Cell Volume: 544.9324554004062
  • Molar Volume: 8.635947239772813
  • Full Formula: U2 H8 C4 Se2 N8 O14
  • Reduced Formula: UH4C2SeN4O7
  • Formula Anonymous: ABC2D4E4F7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -268.48163791
  • Final energy per atom: -7.065306260789474
  • 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.