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  1. Third-Parties
  2. MatprojStructure
  3. mp-20433

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-20433
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Ti', 'In']
  • Chemical System: In-Ti
  • Density: 6.707321932253525
  • Atomic Density: 0.04689993708266463
  • Unit Cell Volume: 298.50786314113725
  • Molar Volume: 12.840402641448176
  • Full Formula: Ti6 In8
  • Reduced Formula: Ti3In4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -69.80751504
  • Final energy per atom: -4.986251074285714
  • 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.