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  1. Third-Parties
  2. MatprojStructure
  3. mp-23269

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-23269
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['W', 'Cl']
  • Chemical System: Cl-W
  • Density: 4.376432973357968
  • Atomic Density: 0.03632747928335371
  • Unit Cell Volume: 660.6569041799023
  • Molar Volume: 16.577370295988352
  • Full Formula: W6 Cl18
  • Reduced Formula: WCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -140.79697790999998
  • Final energy per atom: -5.866540746249999
  • 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.