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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223036

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-1223036
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['La', 'B', 'Ir', 'Os']
  • Chemical System: B-Ir-La-Os
  • Density: 13.257552158985506
  • Atomic Density: 0.07587292770820635
  • Unit Cell Volume: 237.23876939644094
  • Molar Volume: 7.937140350191932
  • Full Formula: La2 B8 Ir4 Os4
  • Reduced Formula: LaB4(IrOs)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 77
  • Spacegroup Symbol: P4_2
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -152.65083261
  • Final energy per atom: -8.480601811666666
  • 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.