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  1. Third-Parties
  2. MatprojStructure
  3. mp-16140

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-16140
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'P', 'O']
  • Chemical System: Na-O-P-Ti
  • Density: 2.6847410523129907
  • Atomic Density: 0.07724083580746274
  • Unit Cell Volume: 1812.5127536032394
  • Molar Volume: 7.796576379638504
  • Full Formula: Na12 Ti4 P32 O92
  • Reduced Formula: Na3TiP8O23
  • Formula Anonymous: AB3C8D23
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -1048.79152845
  • Final energy per atom: -7.491368060357143
  • 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.