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  1. Third-Parties
  2. MatprojStructure
  3. mp-6049

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-6049
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Tb', 'Ru', 'O']
  • Chemical System: Ba-O-Ru-Tb
  • Density: 6.607018784537857
  • Atomic Density: 0.06612465005011044
  • Unit Cell Volume: 302.459067607067
  • Molar Volume: 9.107255396340571
  • Full Formula: Ba4 Tb1 Ru3 O12
  • Reduced Formula: Ba4Tb(RuO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -149.80728462
  • Final energy per atom: -7.490364230999999
  • 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.