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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198531

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-1198531
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['U', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-S-U
  • Density: 2.130156248242691
  • Atomic Density: 0.041415070032018025
  • Unit Cell Volume: 772.6656015614792
  • Molar Volume: 14.540940665666575
  • Full Formula: U2 C8 S2 N2 Cl2 O16
  • Reduced Formula: UC4SNClO8
  • Formula Anonymous: ABCDE4F8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -228.12026555
  • Final energy per atom: -7.1287582984375
  • 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.