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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220885

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-1220885
  • 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: 13
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'Al', 'O']
  • Chemical System: Al-Na-O-Ti
  • Density: 3.7165045802293397
  • Atomic Density: 0.09048086989384542
  • Unit Cell Volume: 143.67677958061134
  • Molar Volume: 6.6557060813687325
  • Full Formula: Na1 Ti3 Al1 O8
  • Reduced Formula: NaTi3AlO8
  • Formula Anonymous: ABC3D8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -111.59310575
  • Final energy per atom: -8.584085057692308
  • 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.