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  1. Third-Parties
  2. MatprojStructure
  3. mp-4495

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-4495
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['K', 'Li', 'Te']
  • Chemical System: K-Li-Te
  • Density: 3.1346404169301105
  • Atomic Density: 0.032614585227990066
  • Unit Cell Volume: 183.9667730880955
  • Molar Volume: 18.46456337832485
  • Full Formula: K2 Li2 Te2
  • Reduced Formula: KLiTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -19.6223387
  • Final energy per atom: -3.2703897833333335
  • 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.