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  1. Third-Parties
  2. MatprojStructure
  3. mp-744025

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-744025
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'Mg', 'Fe', 'Mo', 'O']
  • Chemical System: Fe-Mg-Mo-O-Sr
  • Density: 5.1841445947834925
  • Atomic Density: 0.07817294715020642
  • Unit Cell Volume: 511.6859662862842
  • Molar Volume: 7.703612284731545
  • Full Formula: Sr8 Mg3 Fe1 Mo4 O24
  • Reduced Formula: Sr8Mg3Fe(MoO6)4
  • Formula Anonymous: AB3C4D8E24
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -300.15286583
  • Final energy per atom: -7.5038216457499995
  • 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.