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  1. Third-Parties
  2. MatprojStructure
  3. mp-560614

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-560614
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'Li', 'S', 'O']
  • Chemical System: K-Li-O-S
  • Density: 2.2413743011444853
  • Atomic Density: 0.06649108899601136
  • Unit Cell Volume: 421.1090602182746
  • Molar Volume: 9.057064414092022
  • Full Formula: K4 Li4 S4 O16
  • Reduced Formula: KLiSO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -172.10665716999998
  • Final energy per atom: -6.146666327499999
  • 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.