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  1. Third-Parties
  2. MatprojStructure
  3. mp-865031

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-865031
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Mg', 'Zn', 'B', 'Ir']
  • Chemical System: B-Ir-Mg-Zn
  • Density: 13.720365836643513
  • Atomic Density: 0.07533875769838241
  • Unit Cell Volume: 265.46761070934696
  • Molar Volume: 7.993416594562856
  • Full Formula: Mg4 Zn2 B4 Ir10
  • Reduced Formula: Mg2ZnB2Ir5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -133.22831597
  • Final energy per atom: -6.6614157985
  • 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.