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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196696

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-1196696
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 148
  • Number of elements: 6
  • Element list: ['Na', 'U', 'H', 'S', 'Cl', 'O']
  • Chemical System: Cl-H-Na-O-S-U
  • Density: 2.961869025017091
  • Atomic Density: 0.07442976350595307
  • Unit Cell Volume: 1988.4518373911346
  • Molar Volume: 8.091038418412191
  • Full Formula: Na28 U4 H16 S16 Cl4 O80
  • Reduced Formula: Na7UH4S4ClO20
  • Formula Anonymous: ABC4D4E7F20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -926.48782576
  • Final energy per atom: -6.260052876756757
  • 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.