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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207399

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-1207399
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Zr', 'Tl', 'Cu', 'Se']
  • Chemical System: Cu-Se-Tl-Zr
  • Density: 6.298742712303581
  • Atomic Density: 0.039479221743468455
  • Unit Cell Volume: 379.94669949342756
  • Molar Volume: 15.253950037645609
  • Full Formula: Zr3 Tl2 Cu2 Se8
  • Reduced Formula: Zr3Tl2(CuSe4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -84.67012387
  • Final energy per atom: -5.644674924666666
  • 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.