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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235896

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-1235896
  • 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: 15
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'Fe', 'O']
  • Chemical System: Fe-Li-O-Y
  • Density: 4.581763982350555
  • Atomic Density: 0.07719807430376711
  • Unit Cell Volume: 194.3053649366488
  • Molar Volume: 7.800895053811116
  • Full Formula: Li1 Y2 Fe4 O8
  • Reduced Formula: LiY2(FeO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -120.69742518
  • Final energy per atom: -8.046495012
  • 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.