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  1. Third-Parties
  2. MatprojStructure
  3. mp-645272

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-645272
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Tl', 'V', 'Se', 'O']
  • Chemical System: O-Se-Tl-V
  • Density: 4.47319989766069
  • Atomic Density: 0.06857222232410029
  • Unit Cell Volume: 524.993922901453
  • Molar Volume: 8.78218694960316
  • Full Formula: Tl2 V6 Se4 O24
  • Reduced Formula: TlV3(SeO6)2
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -259.09392012
  • Final energy per atom: -7.1970533366666665
  • 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.