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  1. Third-Parties
  2. MatprojStructure
  3. mp-695057

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-695057
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Fe', 'Mo', 'O']
  • Chemical System: Fe-Mo-Nd-O-Sr
  • Density: 5.742094575279222
  • Atomic Density: 0.07759033877857192
  • Unit Cell Volume: 1288.8202522917318
  • Molar Volume: 7.761456973639521
  • Full Formula: Sr16 Nd4 Fe10 Mo10 O60
  • Reduced Formula: Sr8Nd2Fe5(MoO6)5
  • Formula Anonymous: A2B5C5D8E30
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -794.68765373
  • Final energy per atom: -7.9468765373
  • 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.