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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178665

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-1178665
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Zn', 'B', 'Ir']
  • Chemical System: B-Ir-Zn
  • Density: 14.825627853343018
  • Atomic Density: 0.07984915893756293
  • Unit Cell Volume: 288.0431091075683
  • Molar Volume: 7.541896295625279
  • Full Formula: Zn6 B6 Ir11
  • Reduced Formula: Zn6B6Ir11
  • Formula Anonymous: A6B6C11
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -151.11020406
  • Final energy per atom: -6.570008872173913
  • 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.