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  1. Third-Parties
  2. MatprojStructure
  3. mp-1040803

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-1040803
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['La', 'Cr', 'Mo', 'O']
  • Chemical System: Cr-La-Mo-O
  • Density: 5.368630385796289
  • Atomic Density: 0.07600495607728257
  • Unit Cell Volume: 118.41333071554851
  • Molar Volume: 7.923352726994052
  • Full Formula: La1 Cr1 Mo1 O6
  • Reduced Formula: LaCrMoO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -73.31774916
  • Final energy per atom: -8.146416573333333
  • 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.