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  1. Third-Parties
  2. MatprojStructure
  3. mp-8756

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-8756
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['K', 'Li', 'Se']
  • Chemical System: K-Li-Se
  • Density: 2.7659623182266633
  • Atomic Density: 0.03997705848666318
  • Unit Cell Volume: 150.0860800451757
  • Molar Volume: 15.063991669144588
  • Full Formula: K2 Li2 Se2
  • Reduced Formula: KLiSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -21.25433557
  • Final energy per atom: -3.5423892616666666
  • 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.