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  1. Third-Parties
  2. MatprojStructure
  3. mp-568039

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-568039
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Cs', 'W', 'Cl']
  • Chemical System: Cl-Cs-W
  • Density: 4.5698209865920525
  • Atomic Density: 0.035651269952219136
  • Unit Cell Volume: 729.2867837484036
  • Molar Volume: 16.891798715925255
  • Full Formula: Cs2 W6 Cl18
  • Reduced Formula: Cs(WCl3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -148.97240578999998
  • Final energy per atom: -5.729707915
  • 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.