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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194961

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-1194961
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Nb', 'Tl', 'V', 'O']
  • Chemical System: Nb-O-Tl-V
  • Density: 4.358930815751699
  • Atomic Density: 0.05975347726715785
  • Unit Cell Volume: 803.3005307020369
  • Molar Volume: 10.0783101426466
  • Full Formula: Nb4 Tl4 V8 O32
  • Reduced Formula: NbTlV2O8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -397.54958144
  • Final energy per atom: -8.282282946666667
  • 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.