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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235257

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-1235257
  • 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: 21
  • Number of elements: 4
  • Element list: ['Li', 'Tl', 'Ni', 'O']
  • Chemical System: Li-Ni-O-Tl
  • Density: 8.766187301816746
  • Atomic Density: 0.0886013042930736
  • Unit Cell Volume: 237.01682686901114
  • Molar Volume: 6.79689854235112
  • Full Formula: Li1 Tl4 Ni4 O12
  • Reduced Formula: LiTl4(NiO3)4
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -114.64309969
  • Final energy per atom: -5.459195223333333
  • 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.