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  1. Third-Parties
  2. MatprojStructure
  3. mp-850251

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-850251
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'O']
  • Chemical System: Na-O-Ti
  • Density: 3.5394927700489283
  • Atomic Density: 0.0819010436025424
  • Unit Cell Volume: 366.29569881413244
  • Molar Volume: 7.352947526804236
  • Full Formula: Na2 Ti9 O19
  • Reduced Formula: Na2Ti9O19
  • Formula Anonymous: A2B9C19
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -266.4304178
  • Final energy per atom: -8.881013926666666
  • 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.