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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238725

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-1238725
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Zn', 'B', 'Ir']
  • Chemical System: B-Ir-Zn
  • Density: 14.674331012099229
  • Atomic Density: 0.07774578513413856
  • Unit Cell Volume: 385.87300839832733
  • Molar Volume: 7.745938573531298
  • Full Formula: Zn10 B6 Ir14
  • Reduced Formula: Zn5B3Ir7
  • Formula Anonymous: A3B5C7
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -184.90830437
  • Final energy per atom: -6.1636101456666665
  • 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.