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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222537

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-1222537
  • 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: 58
  • Number of elements: 4
  • Element list: ['Li', 'Zr', 'Tl', 'F']
  • Chemical System: F-Li-Tl-Zr
  • Density: 4.569154770667338
  • Atomic Density: 0.07351759358123283
  • Unit Cell Volume: 788.9268020710341
  • Molar Volume: 8.191428019669702
  • Full Formula: Li2 Zr10 Tl2 F44
  • Reduced Formula: LiZr5TlF22
  • Formula Anonymous: ABC5D22
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -400.88682925
  • Final energy per atom: -6.911841883620689
  • 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.