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  1. Third-Parties
  2. MatprojStructure
  3. mp-706238

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-706238
  • 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: 74
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'Fe', 'P', 'O']
  • Chemical System: Fe-Na-O-P-Zr
  • Density: 3.042382153886319
  • Atomic Density: 0.07000836987108269
  • Unit Cell Volume: 1057.016470120183
  • Molar Volume: 8.602029687435238
  • Full Formula: Na6 Zr6 Fe2 P12 O48
  • Reduced Formula: Na3Zr3Fe(PO4)6
  • Formula Anonymous: AB3C3D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -598.18722781
  • Final energy per atom: -8.08361118662162
  • 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.