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  1. Third-Parties
  2. MatprojStructure
  3. mp-726223

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-726223
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'Si', 'P', 'O']
  • Chemical System: Na-O-P-Si-Zr
  • Density: 3.0273436429080745
  • Atomic Density: 0.07070938548609697
  • Unit Cell Volume: 1131.3915323974888
  • Molar Volume: 8.516748828462221
  • Full Formula: Na13 Zr7 Si5 P7 O48
  • Reduced Formula: Na13Zr7Si5P7O48
  • Formula Anonymous: A5B7C7D13E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -353.79993303
  • Final energy per atom: -4.422499162875
  • 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.