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  1. Third-Parties
  2. MatprojStructure
  3. mp-694989

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-694989
  • 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: 48
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Fe', 'As', 'O']
  • Chemical System: As-Fe-Nd-O-Sr
  • Density: 5.954682942104824
  • Atomic Density: 0.050942659394495333
  • Unit Cell Volume: 942.2358504744001
  • Molar Volume: 11.821410251406562
  • Full Formula: Sr2 Nd10 Fe12 As12 O12
  • Reduced Formula: SrNd5Fe6(AsO)6
  • Formula Anonymous: AB5C6D6E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -344.30351635
  • Final energy per atom: -7.172989923958333
  • 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.