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  1. Third-Parties
  2. MatprojStructure
  3. mp-733506

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-733506
  • 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: 40
  • Number of elements: 2
  • Element list: ['W', 'O']
  • Chemical System: O-W
  • Density: 6.507984005562234
  • Atomic Density: 0.06761956529833014
  • Unit Cell Volume: 591.5447670141676
  • Molar Volume: 8.905914632001807
  • Full Formula: W10 O30
  • Reduced Formula: WO3
  • Formula Anonymous: AB3
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -365.26356004
  • Final energy per atom: -9.131589001
  • 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.