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  1. Third-Parties
  2. MatprojStructure
  3. mp-560684

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-560684
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['La', 'Mo', 'O']
  • Chemical System: La-Mo-O
  • Density: 6.298974605179213
  • Atomic Density: 0.0738752298347368
  • Unit Cell Volume: 1299.4883429094923
  • Molar Volume: 8.151772621854281
  • Full Formula: La12 Mo24 O60
  • Reduced Formula: LaMo2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -838.2932443999998
  • Final energy per atom: -8.732221295833332
  • 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.