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  1. Third-Parties
  2. MatprojStructure
  3. mp-773864

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-773864
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Sn', 'O']
  • Chemical System: O-Sn-Ti
  • Density: 4.87947087058393
  • Atomic Density: 0.07646512779932642
  • Unit Cell Volume: 78.46714146278919
  • Molar Volume: 7.8756695153958125
  • Full Formula: Ti1 Sn1 O4
  • Reduced Formula: TiSnO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -48.12673597
  • Final energy per atom: -8.021122661666666
  • 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.