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  1. Third-Parties
  2. MatprojStructure
  3. mp-849780

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-849780
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 130
  • Number of elements: 4
  • Element list: ['La', 'H', 'I', 'O']
  • Chemical System: H-I-La-O
  • Density: 4.226645066999031
  • Atomic Density: 0.07215773254156099
  • Unit Cell Volume: 1801.6087177507047
  • Molar Volume: 8.345800994413734
  • Full Formula: La6 H30 I20 O74
  • Reduced Formula: La3H15I10O37
  • Formula Anonymous: A3B10C15D37
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -704.0963360999999
  • Final energy per atom: -5.416125662307691
  • 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.