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  1. Third-Parties
  2. MatprojStructure
  3. mp-566599

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-566599
  • 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: 78
  • Number of elements: 3
  • Element list: ['La', 'I', 'O']
  • Chemical System: I-La-O
  • Density: 5.2378915389475225
  • Atomic Density: 0.061792470200081544
  • Unit Cell Volume: 1262.289721505535
  • Molar Volume: 9.745751772830168
  • Full Formula: La6 I18 O54
  • Reduced Formula: La(IO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -440.83802874
  • Final energy per atom: -5.65176959923077
  • 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.