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  1. Third-Parties
  2. MatprojStructure
  3. mp-19431

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-19431
  • 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', 'Mo', 'O']
  • Chemical System: Li-Mo-O-Y
  • Density: 5.010176600827968
  • Atomic Density: 0.07665916468300218
  • Unit Cell Volume: 169.58181130406342
  • Molar Volume: 7.855734907760224
  • Full Formula: Li1 Y1 Mo3 O8
  • Reduced Formula: LiYMo3O8
  • Formula Anonymous: ABC3D8
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -111.45881763
  • Final energy per atom: -8.573755202307693
  • 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.