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  1. Third-Parties
  2. MatprojStructure
  3. mp-771317

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-771317
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Ti', 'Sb', 'O']
  • Chemical System: O-Sb-Ti
  • Density: 5.042380209163366
  • Atomic Density: 0.07319540926858095
  • Unit Cell Volume: 737.7511860320923
  • Molar Volume: 8.22748423730038
  • Full Formula: Ti10 Sb10 O34
  • Reduced Formula: Ti5Sb5O17
  • Formula Anonymous: A5B5C17
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -428.7767504
  • Final energy per atom: -7.940310192592593
  • 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.