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  1. Third-Parties
  2. MatprojStructure
  3. mp-558673

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-558673
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Pb', 'W', 'Cl', 'O']
  • Chemical System: Cl-O-Pb-W
  • Density: 7.409088315247992
  • Atomic Density: 0.051320948685173916
  • Unit Cell Volume: 428.6748503999414
  • Molar Volume: 11.734274042638134
  • Full Formula: Pb6 W2 Cl4 O10
  • Reduced Formula: Pb3WCl2O5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -145.41825312
  • Final energy per atom: -6.6099205963636365
  • 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.