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  1. Third-Parties
  2. MatprojStructure
  3. mp-607139

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-607139
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Zr', 'Sn', 'Ir']
  • Chemical System: Ir-Sn-Zr
  • Density: 11.391713884999188
  • Atomic Density: 0.05117667582834741
  • Unit Cell Volume: 351.7227273685012
  • Molar Volume: 11.767354292801215
  • Full Formula: Zr6 Sn6 Ir6
  • Reduced Formula: ZrSnIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -141.85238486
  • Final energy per atom: -7.880688047777777
  • 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.