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  1. Third-Parties
  2. MatprojStructure
  3. mp-865762

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-865762
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Tl', 'W', 'Cl', 'O']
  • Chemical System: Cl-O-Tl-W
  • Density: 4.798157871590008
  • Atomic Density: 0.03891463603428003
  • Unit Cell Volume: 282.66999568774236
  • Molar Volume: 15.475259115092523
  • Full Formula: Tl1 W2 Cl6 O2
  • Reduced Formula: TlW2(Cl3O)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -65.72601986000001
  • Final energy per atom: -5.975092714545455
  • 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.