Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-555752

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-555752
  • 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: 36
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'Mo', 'O']
  • Chemical System: Fe-Mo-Na-O
  • Density: 3.7126319997371438
  • Atomic Density: 0.06549206371617664
  • Unit Cell Volume: 549.684922985683
  • Molar Volume: 9.195222166304283
  • Full Formula: Na2 Fe4 Mo6 O24
  • Reduced Formula: NaFe2(MoO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -290.31092496
  • Final energy per atom: -8.06419236
  • 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.