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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217450

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-1217450
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Ti', 'In', 'Fe', 'O']
  • Chemical System: Fe-In-O-Ti
  • Density: 5.754266399324723
  • Atomic Density: 0.0845160391002131
  • Unit Cell Volume: 378.6263570877556
  • Molar Volume: 7.125441305714024
  • Full Formula: Ti4 In6 Fe2 O20
  • Reduced Formula: Ti2In3FeO10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -243.82244285
  • Final energy per atom: -7.6194513390625
  • 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.