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  1. Third-Parties
  2. MatprojStructure
  3. mp-690382

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-690382
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Zr', 'P', 'O']
  • Chemical System: Mg-Na-O-P-Zr
  • Density: 2.949222257364641
  • Atomic Density: 0.07567176242289952
  • Unit Cell Volume: 1585.7962885728432
  • Molar Volume: 7.9582403887260345
  • Full Formula: Na18 Mg6 Zr6 P18 O72
  • Reduced Formula: Na3MgZr(PO4)3
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -890.11800584
  • Final energy per atom: -7.417650048666667
  • 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.