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  1. Third-Parties
  2. MatprojStructure
  3. mp-754246

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-754246
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ti', 'Sn', 'O']
  • Chemical System: O-Sn-Ti
  • Density: 4.572232865740897
  • Atomic Density: 0.06416079284676246
  • Unit Cell Volume: 155.85842313207323
  • Molar Volume: 9.386013627329852
  • Full Formula: Ti2 Sn2 O6
  • Reduced Formula: TiSnO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -81.04400851
  • Final energy per atom: -8.104400851
  • 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.