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  1. Third-Parties
  2. MatprojStructure
  3. mp-733509

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-733509
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si-Ti
  • Density: 2.521776790362795
  • Atomic Density: 0.08715088059436436
  • Unit Cell Volume: 550.76896151413
  • Molar Volume: 6.910017109327319
  • Full Formula: Na4 Ti2 Si8 H8 O26
  • Reduced Formula: Na2TiSi4H4O13
  • Formula Anonymous: AB2C4D4E13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -348.25486285
  • Final energy per atom: -7.255309642708333
  • 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.