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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213292

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-1213292
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Cs', 'W', 'Br']
  • Chemical System: Br-Cs-W
  • Density: 5.482802769219304
  • Atomic Density: 0.029201953969397874
  • Unit Cell Volume: 1506.7484883412153
  • Molar Volume: 20.622389742518223
  • Full Formula: Cs4 W12 Br28
  • Reduced Formula: CsW3Br7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -252.39188831
  • Final energy per atom: -5.736179279772728
  • 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.