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  1. Third-Parties
  2. MatprojStructure
  3. mp-771652

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-771652
  • 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: 44
  • Number of elements: 3
  • Element list: ['Ti', 'Sb', 'O']
  • Chemical System: O-Sb-Ti
  • Density: 5.173296072055938
  • Atomic Density: 0.0759440754651336
  • Unit Cell Volume: 579.3737000617076
  • Molar Volume: 7.929704487303692
  • Full Formula: Ti8 Sb8 O28
  • Reduced Formula: Ti2Sb2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -350.52490418
  • Final energy per atom: -7.966475095000001
  • 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.