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  1. Third-Parties
  2. MatprojStructure
  3. mp-28787

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-28787
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 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: 13.394483980871811
  • Atomic Density: 0.07666711778651109
  • Unit Cell Volume: 391.30204533759377
  • Molar Volume: 7.854919988996305
  • Full Formula: Zn12 B6 Ir12
  • Reduced Formula: Zn2BIr2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -170.22636664
  • Final energy per atom: -5.674212221333334
  • 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.