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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222592

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-1222592
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Li', 'In', 'Mo', 'Se']
  • Chemical System: In-Li-Mo-Se
  • Density: 5.561969278125767
  • Atomic Density: 0.040039778262508964
  • Unit Cell Volume: 349.6522859895262
  • Molar Volume: 15.040394880605017
  • Full Formula: Li1 In1 Mo6 Se6
  • Reduced Formula: LiIn(MoSe)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -100.0575906
  • Final energy per atom: -7.146970757142857
  • 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.