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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218475

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-1218475
  • 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: 16
  • Number of elements: 6
  • Element list: ['Sr', 'Mg', 'Ti', 'Fe', 'As', 'O']
  • Chemical System: As-Fe-Mg-O-Sr-Ti
  • Density: 4.772232743847063
  • Atomic Density: 0.05893819045793367
  • Unit Cell Volume: 271.4708387835521
  • Molar Volume: 10.217722521186362
  • Full Formula: Sr4 Mg1 Ti1 Fe2 As2 O6
  • Reduced Formula: Sr4MgTiFe2(AsO3)2
  • Formula Anonymous: ABC2D2E4F6
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -101.69731959
  • Final energy per atom: -6.356082474375
  • 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.