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  1. Third-Parties
  2. MatprojStructure
  3. mp-698096

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-698096
  • 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: 50
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'Re', 'O']
  • Chemical System: Fe-La-O-Re
  • Density: 7.801494630995528
  • Atomic Density: 0.07505141638447554
  • Unit Cell Volume: 666.2099452441853
  • Molar Volume: 8.024020131944754
  • Full Formula: La10 Fe2 Re6 O32
  • Reduced Formula: La5FeRe3O16
  • Formula Anonymous: AB3C5D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -446.98032668
  • Final energy per atom: -8.939606533600001
  • 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.