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  1. Third-Parties
  2. MatprojStructure
  3. mp-39995

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-39995
  • 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: 9
  • Number of elements: 4
  • Element list: ['Sr', 'Nb', 'Fe', 'O']
  • Chemical System: Fe-Nb-O-Sr
  • Density: 4.439160132275428
  • Atomic Density: 0.07238945503015712
  • Unit Cell Volume: 124.32750041080764
  • Molar Volume: 8.319085642364906
  • Full Formula: Sr1 Nb1 Fe1 O6
  • Reduced Formula: SrNbFeO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -70.64971014
  • Final energy per atom: -7.849967793333333
  • 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.