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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228219

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-1228219
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ba', 'Tb', 'Ir', 'Ru', 'O']
  • Chemical System: Ba-Ir-O-Ru-Tb
  • Density: 7.363786469919639
  • Atomic Density: 0.06597841007289046
  • Unit Cell Volume: 454.6941941592277
  • Molar Volume: 9.127441466605465
  • Full Formula: Ba6 Tb2 Ir2 Ru2 O18
  • Reduced Formula: Ba3TbIrRuO9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -223.54835688
  • Final energy per atom: -7.451611896
  • 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.