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  1. Third-Parties
  2. MatprojStructure
  3. mp-1375712

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-1375712
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Y', 'W', 'O']
  • Chemical System: O-W-Y
  • Density: 7.562364940003576
  • Atomic Density: 0.0709937193892275
  • Unit Cell Volume: 422.57259174608294
  • Molar Volume: 8.482638762709753
  • Full Formula: Y6 W6 O18
  • Reduced Formula: YWO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -282.68606895
  • Final energy per atom: -9.422868965
  • 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.