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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180462

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-1180462
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'Si', 'O']
  • Chemical System: Na-O-Si-Ti
  • Density: 2.496976964888841
  • Atomic Density: 0.06722156358959264
  • Unit Cell Volume: 773.5612982386909
  • Molar Volume: 8.958644277849496
  • Full Formula: Na4 Ti8 Si4 O36
  • Reduced Formula: NaTi2SiO9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -377.65551737
  • Final energy per atom: -7.26260610326923
  • 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.