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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210399

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-1210399
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si-Ti
  • Density: 2.52483584427323
  • Atomic Density: 0.07516351577975662
  • Unit Cell Volume: 452.3471214362359
  • Molar Volume: 8.012053051970078
  • Full Formula: Na4 Ti4 Si4 H4 O18
  • Reduced Formula: Na2Ti2Si2H2O9
  • Formula Anonymous: A2B2C2D2E9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -245.8724258
  • Final energy per atom: -7.231541935294118
  • 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.