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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198784

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-1198784
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Cs', 'U', 'Nb', 'Cl', 'O']
  • Chemical System: Cl-Cs-Nb-O-U
  • Density: 4.12712980659992
  • Atomic Density: 0.04089171700101459
  • Unit Cell Volume: 1320.5608362852597
  • Molar Volume: 14.72704303380213
  • Full Formula: Cs4 U2 Nb12 Cl30 O6
  • Reduced Formula: Cs2UNb6(Cl5O)3
  • Formula Anonymous: AB2C3D6E15
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -345.38650446
  • Final energy per atom: -6.396046378888889
  • 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.