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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215947

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-1215947
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Y', 'Lu', 'B', 'Ir']
  • Chemical System: B-Ir-Lu-Y
  • Density: 14.436994561781765
  • Atomic Density: 0.08288499828724837
  • Unit Cell Volume: 217.16837029565642
  • Molar Volume: 7.2656583030013655
  • Full Formula: Y1 Lu1 B8 Ir8
  • Reduced Formula: YLu(BIr)8
  • Formula Anonymous: ABC8D8
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -144.25774255
  • Final energy per atom: -8.014319030555555
  • 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.