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  1. Third-Parties
  2. MatprojStructure
  3. mp-697308

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-697308
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 119
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'Si', 'P', 'O']
  • Chemical System: Na-O-P-Si-Zr
  • Density: 3.0826151403146413
  • Atomic Density: 0.06983718321423768
  • Unit Cell Volume: 1703.9633404879296
  • Molar Volume: 8.623115198569849
  • Full Formula: Na17 Zr12 Si11 P7 O72
  • Reduced Formula: Na17Zr12Si11P7O72
  • Formula Anonymous: A7B11C12D17E72
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -951.66686935
  • Final energy per atom: -7.997200582773109
  • 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.