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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196189

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-1196189
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Si', 'O']
  • Chemical System: Na-O-Si-Zr
  • Density: 2.4903326584998573
  • Atomic Density: 0.06820257691247027
  • Unit Cell Volume: 791.758939978213
  • Molar Volume: 8.829784786179982
  • Full Formula: Na4 Zr2 Si12 O36
  • Reduced Formula: Na2Zr(SiO3)6
  • Formula Anonymous: AB2C6D18
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -396.38368259
  • Final energy per atom: -7.340438566481481
  • 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.