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  1. Third-Parties
  2. MatprojStructure
  3. mp-22252

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-22252
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-La-O
  • Density: 4.2464714655912905
  • Atomic Density: 0.0944209784100842
  • Unit Cell Volume: 211.81733484202056
  • Molar Volume: 6.377969029133501
  • Full Formula: La1 Fe3 B4 O12
  • Reduced Formula: LaFe3(BO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -168.15711195
  • Final energy per atom: -8.4078555975
  • 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.