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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195147

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-1195147
  • 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: 110
  • Number of elements: 3
  • Element list: ['La', 'I', 'O']
  • Chemical System: I-La-O
  • Density: 4.4219114727004785
  • Atomic Density: 0.054437544768830615
  • Unit Cell Volume: 2020.6642394897806
  • Molar Volume: 11.062476799005282
  • Full Formula: La6 I26 O78
  • Reduced Formula: La3(IO3)13
  • Formula Anonymous: A3B13C39
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -586.60288933
  • Final energy per atom: -5.332753539363637
  • 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.