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  1. Third-Parties
  2. MatprojStructure
  3. mp-647867

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-647867
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 3
  • Element list: ['La', 'Mo', 'O']
  • Chemical System: La-Mo-O
  • Density: 4.459020604113554
  • Atomic Density: 0.0615005482738791
  • Unit Cell Volume: 2471.522681767024
  • Molar Volume: 9.792011500745858
  • Full Formula: La16 Mo28 O108
  • Reduced Formula: La4Mo7O27
  • Formula Anonymous: A4B7C27
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1307.95981051
  • Final energy per atom: -8.604998753355263
  • 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.