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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197952

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-1197952
  • 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: 120
  • Number of elements: 3
  • Element list: ['Tb', 'Ir', 'Br']
  • Chemical System: Br-Ir-Tb
  • Density: 5.736891064250034
  • Atomic Density: 0.030377000833953994
  • Unit Cell Volume: 3950.357069677188
  • Molar Volume: 19.824671938214298
  • Full Formula: Tb40 Ir8 Br72
  • Reduced Formula: Tb5IrBr9
  • Formula Anonymous: AB5C9
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -615.74148886
  • Final energy per atom: -5.131179073833334
  • 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.