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  1. Third-Parties
  2. MatprojStructure
  3. mp-756622

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-756622
  • 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: 13
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'W', 'O']
  • Chemical System: Li-O-W-Y
  • Density: 4.960926822758755
  • Atomic Density: 0.06633379011842265
  • Unit Cell Volume: 195.97854994855112
  • Molar Volume: 9.078541644083582
  • Full Formula: Li1 Y3 W1 O8
  • Reduced Formula: LiY3WO8
  • Formula Anonymous: ABC3D8
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -116.08303655
  • Final energy per atom: -8.92946435
  • 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.