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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099073

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-1099073
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'O']
  • Chemical System: Nb-O-Ti
  • Density: 3.8759384541192694
  • Atomic Density: 0.08469242397983853
  • Unit Cell Volume: 566.7567149976325
  • Molar Volume: 7.11060148831447
  • Full Formula: Ti15 Nb1 O32
  • Reduced Formula: Ti15NbO32
  • Formula Anonymous: AB15C32
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -453.0380279499999
  • Final energy per atom: -9.438292248958332
  • 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.