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  1. Third-Parties
  2. MatprojStructure
  3. mp-557696

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-557696
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Na', 'Y', 'Si', 'O', 'F']
  • Chemical System: F-Na-O-Si-Y
  • Density: 3.8183571776338607
  • Atomic Density: 0.08041008041993293
  • Unit Cell Volume: 373.08755125387574
  • Molar Volume: 7.489285831515182
  • Full Formula: Na5 Y4 Si4 O16 F1
  • Reduced Formula: Na5Y4Si4O16F
  • Formula Anonymous: AB4C4D5E16
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -234.5131106
  • Final energy per atom: -7.817103686666667
  • 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.