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  1. Third-Parties
  2. MatprojStructure
  3. mp-795689

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-795689
  • 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: 12
  • Number of elements: 3
  • Element list: ['Pb', 'W', 'O']
  • Chemical System: O-Pb-W
  • Density: 8.436680657675113
  • Atomic Density: 0.06699254543173577
  • Unit Cell Volume: 179.1244073898907
  • Molar Volume: 8.989269957112551
  • Full Formula: Pb2 W2 O8
  • Reduced Formula: PbWO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -32.41786388
  • Final energy per atom: -2.7014886566666667
  • 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.