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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220473

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-1220473
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Nb', 'Tl', 'Te', 'O']
  • Chemical System: Nb-O-Te-Tl
  • Density: 6.034371314665238
  • Atomic Density: 0.06278887337672898
  • Unit Cell Volume: 286.6749956158828
  • Molar Volume: 9.591095422062383
  • Full Formula: Nb2 Tl2 Te2 O12
  • Reduced Formula: NbTlTeO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -127.61527058
  • Final energy per atom: -7.089737254444445
  • 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.