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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223004

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-1223004
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'In', 'Te', 'Mo']
  • Chemical System: In-Li-Mo-Te
  • Density: 6.027981111651178
  • Atomic Density: 0.034738158448325326
  • Unit Cell Volume: 403.0150308867314
  • Molar Volume: 17.335808888540317
  • Full Formula: Li1 In1 Te6 Mo6
  • Reduced Formula: LiIn(TeMo)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -92.15399287
  • Final energy per atom: -6.582428062142857
  • 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.