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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199440

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-1199440
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 6
  • Element list: ['U', 'H', 'C', 'Se', 'N', 'O']
  • Chemical System: C-H-N-O-Se-U
  • Density: 3.443991585811653
  • Atomic Density: 0.07807914061448562
  • Unit Cell Volume: 1050.2164772134668
  • Molar Volume: 7.712867627135158
  • Full Formula: U4 H24 C4 Se6 N12 O32
  • Reduced Formula: U2H12C2Se3(N3O8)2
  • Formula Anonymous: A2B2C3D6E12F16
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -551.30833692
  • Final energy per atom: -6.723272401463414
  • 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.