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  1. Third-Parties
  2. MatprojStructure
  3. mp-706231

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-706231
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Na', 'Sr', 'Fe', 'Mo', 'O']
  • Chemical System: Fe-Mo-Na-O-Sr
  • Density: 5.318004381187182
  • Atomic Density: 0.07809347425115865
  • Unit Cell Volume: 640.2583631916999
  • Molar Volume: 7.71145197181524
  • Full Formula: Na1 Sr9 Fe5 Mo5 O30
  • Reduced Formula: NaSr9Fe5(MoO6)5
  • Formula Anonymous: AB5C5D9E30
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -385.08505622
  • Final energy per atom: -7.7017011244
  • 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.