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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188660

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-1188660
  • Created at: Sept. 4, 2022, 2:41 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: ['Ba', 'Lu', 'Ir', 'O']
  • Chemical System: Ba-Ir-Lu-O
  • Density: 8.421029526303426
  • Atomic Density: 0.06873171699373268
  • Unit Cell Volume: 290.98647429139163
  • Molar Volume: 8.761807537194409
  • Full Formula: Ba4 Lu2 Ir2 O12
  • Reduced Formula: Ba2LuIrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -150.06819988
  • Final energy per atom: -7.503409994
  • 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.