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  1. Third-Parties
  2. MatprojStructure
  3. mp-582076

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-582076
  • 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: 4
  • Element list: ['Cs', 'W', 'Br', 'Cl']
  • Chemical System: Br-Cl-Cs-W
  • Density: 4.8104747142113125
  • Atomic Density: 0.029894749127881922
  • Unit Cell Volume: 1471.8303810404798
  • Molar Volume: 20.144476657886827
  • Full Formula: Cs4 W12 Br12 Cl16
  • Reduced Formula: CsW3Br3Cl4
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -262.72807558
  • Final energy per atom: -5.971092626818182
  • 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.