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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215752

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-1215752
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Zn', 'B', 'Ir']
  • Chemical System: B-Ir-Zn
  • Density: 15.14716138631038
  • Atomic Density: 0.07836333206483437
  • Unit Cell Volume: 280.7435495698188
  • Molar Volume: 7.684896240779484
  • Full Formula: Zn6 B5 Ir11
  • Reduced Formula: Zn6B5Ir11
  • Formula Anonymous: A5B6C11
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -144.18681008
  • Final energy per atom: -6.553945912727272
  • 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.