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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215396

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-1215396
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 3
  • Element list: ['Zr', 'B', 'Ir']
  • Chemical System: B-Ir-Zr
  • Density: 13.281446555045822
  • Atomic Density: 0.08750028535606162
  • Unit Cell Volume: 354.28455888861237
  • Molar Volume: 6.882424137812041
  • Full Formula: Zr4 B15 Ir12
  • Reduced Formula: Zr4(B5Ir4)3
  • Formula Anonymous: A4B12C15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -257.2166386
  • Final energy per atom: -8.297310922580646
  • 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.