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  1. Third-Parties
  2. MatprojStructure
  3. mp-554683

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-554683
  • 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: 52
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'Mo', 'O']
  • Chemical System: Fe-Mo-Na-O
  • Density: 4.840388947682214
  • Atomic Density: 0.08270718992498396
  • Unit Cell Volume: 628.7240570881974
  • Molar Volume: 7.281278405737308
  • Full Formula: Na6 Fe4 Mo10 O32
  • Reduced Formula: Na3Fe2Mo5O16
  • Formula Anonymous: A2B3C5D16
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -403.86295476
  • Final energy per atom: -7.766595283846153
  • 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.