Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-561158

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-561158
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Mo', 'O']
  • Chemical System: Mo-Na-O-Zr
  • Density: 3.641609964160771
  • Atomic Density: 0.06662229820058556
  • Unit Cell Volume: 750.4994776592763
  • Molar Volume: 9.039226989541275
  • Full Formula: Na8 Zr2 Mo8 O32
  • Reduced Formula: Na4Zr(MoO4)4
  • Formula Anonymous: AB4C4D16
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -388.21802415
  • Final energy per atom: -7.764360483000001
  • 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.