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  1. Third-Parties
  2. MatprojStructure
  3. mp-693746

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-693746
  • 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: 119
  • Number of elements: 6
  • Element list: ['Na', 'Zr', 'Sc', 'Si', 'P', 'O']
  • Chemical System: Na-O-P-Sc-Si-Zr
  • Density: 2.9819036024162213
  • Atomic Density: 0.07252876539030344
  • Unit Cell Volume: 1640.72832840347
  • Molar Volume: 8.303106674424539
  • Full Formula: Na17 Zr7 Sc5 Si6 P12 O72
  • Reduced Formula: Na17Zr7Sc5Si6(PO6)12
  • Formula Anonymous: A5B6C7D12E17F72
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -936.77225388
  • Final energy per atom: -7.872035746890757
  • 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.