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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217331

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-1217331
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Th', 'Ir', 'Os']
  • Chemical System: Ir-Os-Th
  • Density: 17.693529320010914
  • Atomic Density: 0.05202059305222908
  • Unit Cell Volume: 115.33893883093477
  • Molar Volume: 11.576455412481984
  • Full Formula: Th2 Ir2 Os2
  • Reduced Formula: ThIrOs
  • Formula Anonymous: ABC
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -58.21941631
  • Final energy per atom: -9.703236051666666
  • 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.