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  1. Third-Parties
  2. MatprojStructure
  3. mp-652282

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-652282
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['P', 'W', 'O']
  • Chemical System: O-P-W
  • Density: 6.245290465089374
  • Atomic Density: 0.06983970171990649
  • Unit Cell Volume: 1546.3983570997502
  • Molar Volume: 8.622804238414298
  • Full Formula: P4 W24 O80
  • Reduced Formula: P(W3O10)2
  • Formula Anonymous: AB6C20
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -972.07940292
  • Final energy per atom: -9.000735212222223
  • 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.