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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218666

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-1218666
  • 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: 30
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'Ir', 'O']
  • Chemical System: Ir-La-Mn-O-Sr
  • Density: 7.139488600062419
  • Atomic Density: 0.07780750028471542
  • Unit Cell Volume: 385.566942649785
  • Molar Volume: 7.739794670132842
  • Full Formula: Sr4 La2 Mn3 Ir3 O18
  • Reduced Formula: Sr4La2Mn3(IrO6)3
  • Formula Anonymous: A2B3C3D4E18
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -231.08935125
  • Final energy per atom: -7.702978375
  • 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.