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  1. Third-Parties
  2. MatprojStructure
  3. mp-541368

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-541368
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Tl', 'V', 'O']
  • Chemical System: O-Tl-V
  • Density: 6.709966261905042
  • Atomic Density: 0.05093102440092776
  • Unit Cell Volume: 255.24717307204196
  • Molar Volume: 11.824110806399371
  • Full Formula: Tl4 V2 O7
  • Reduced Formula: Tl4V2O7
  • Formula Anonymous: A2B4C7
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -85.98643486
  • Final energy per atom: -6.614341143076923
  • 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.