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  1. Third-Parties
  2. MatprojStructure
  3. mp-559270

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-559270
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Rb', 'Ba', 'Sb', 'O']
  • Chemical System: Ba-O-Rb-Sb
  • Density: 4.892431148849621
  • Atomic Density: 0.026097615702814582
  • Unit Cell Volume: 689.7181798128298
  • Molar Volume: 23.0754442420214
  • Full Formula: Rb2 Ba8 Sb6 O2
  • Reduced Formula: RbBa4Sb3O
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -77.83861852999999
  • Final energy per atom: -4.324367696111111
  • 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.