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  1. Third-Parties
  2. MatprojStructure
  3. mp-569373

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-569373
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Li', 'Zn', 'Ge']
  • Chemical System: Ge-Li-Zn
  • Density: 3.3406274185482285
  • Atomic Density: 0.06469267045117487
  • Unit Cell Volume: 401.900243391913
  • Molar Volume: 9.308845527632155
  • Full Formula: Li16 Zn4 Ge6
  • Reduced Formula: Li8Zn2Ge3
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -72.44201835
  • Final energy per atom: -2.786231475
  • 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.