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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246708

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-1246708
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Sr', 'Ir', 'N']
  • Chemical System: Ir-N-Sr
  • Density: 6.2768228221590645
  • Atomic Density: 0.05420392919387152
  • Unit Cell Volume: 479.67002368049083
  • Molar Volume: 11.110155388294032
  • Full Formula: Sr10 Ir4 N12
  • Reduced Formula: Sr5(IrN3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -166.47208236999998
  • Final energy per atom: -6.402772398846153
  • 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.