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  1. Third-Parties
  2. MatprojStructure
  3. mp-557438

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-557438
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Sm', 'Ti', 'Bi', 'O']
  • Chemical System: Bi-O-Sm-Ti
  • Density: 7.237584411582504
  • Atomic Density: 0.07854967671381675
  • Unit Cell Volume: 241.88514574316426
  • Molar Volume: 7.666665239044474
  • Full Formula: Sm2 Ti3 Bi2 O12
  • Reduced Formula: Sm2Ti3(BiO6)2
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -159.57760819
  • Final energy per atom: -8.39882148368421
  • 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.