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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221256

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-1221256
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 4
  • Element list: ['Na', 'Y', 'Si', 'O']
  • Chemical System: Na-O-Si-Y
  • Density: 2.5937554029830183
  • Atomic Density: 0.06837412261208167
  • Unit Cell Volume: 1082.2807982463858
  • Molar Volume: 8.807631498493102
  • Full Formula: Na10 Y4 Si12 O48
  • Reduced Formula: Na5Y2(SiO4)6
  • Formula Anonymous: A2B5C6D24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -512.00096436
  • Final energy per atom: -6.918931950810811
  • 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.