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  1. Third-Parties
  2. MatprojStructure
  3. mp-31082

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-31082
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Li', 'Zr', 'Ge']
  • Chemical System: Ge-Li-Zr
  • Density: 3.5707814162052296
  • Atomic Density: 0.05695969176482922
  • Unit Cell Volume: 122.89392345908506
  • Molar Volume: 10.57263579456109
  • Full Formula: Li4 Zr1 Ge2
  • Reduced Formula: Li4ZrGe2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -25.84533089
  • Final energy per atom: -3.692190127142857
  • 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.