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  1. Third-Parties
  2. MatprojStructure
  3. mp-720989

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-720989
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 75
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'Si', 'P', 'O']
  • Chemical System: Na-O-P-Si-Zr
  • Density: 3.2087999097699407
  • Atomic Density: 0.0712950218492392
  • Unit Cell Volume: 1051.966856235704
  • Molar Volume: 8.446789977474792
  • Full Formula: Na9 Zr8 Si4 P8 O46
  • Reduced Formula: Na9Zr8Si4(P4O23)2
  • Formula Anonymous: A4B8C8D9E46
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -567.09779825
  • Final energy per atom: -7.561303976666666
  • 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.