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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180541

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-1180541
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si-Ti
  • Density: 2.503337101890698
  • Atomic Density: 0.08692389840020151
  • Unit Cell Volume: 782.2934917958346
  • Molar Volume: 6.928061063568266
  • Full Formula: Na4 Ti8 Si4 H16 O36
  • Reduced Formula: NaTi2SiH4O9
  • Formula Anonymous: ABC2D4E9
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -470.48060492
  • Final energy per atom: -6.918832425294118
  • 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.