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  1. Third-Parties
  2. MatprojStructure
  3. mp-555155

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-555155
  • 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: 50
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Y', 'Si', 'O']
  • Chemical System: K-Na-O-Si-Y
  • Density: 2.748229495037466
  • Atomic Density: 0.07103250931591992
  • Unit Cell Volume: 703.9030506105732
  • Molar Volume: 8.478006504340552
  • Full Formula: K2 Na4 Y2 Si12 O30
  • Reduced Formula: KNa2Y(Si2O5)3
  • Formula Anonymous: ABC2D6E15
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -393.5777415
  • Final energy per atom: -7.87155483
  • 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.