Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-532552

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-532552
  • Created at: Sept. 4, 2022, 2:43 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', 'Ni', 'P', 'O']
  • Chemical System: Na-Ni-O-P-Zr
  • Density: 3.2107943223178994
  • Atomic Density: 0.07675992417443492
  • Unit Cell Volume: 1042.2105136295093
  • Molar Volume: 7.845423018286005
  • Full Formula: Na12 Zr4 Ni4 P12 O48
  • Reduced Formula: Na3ZrNi(PO4)3
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -593.9257661199999
  • Final energy per atom: -7.424072076499999
  • 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.