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  1. Third-Parties
  2. MatprojStructure
  3. mp-699460

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-699460
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['K', 'Li', 'H', 'S', 'N', 'O']
  • Chemical System: H-K-Li-N-O-S
  • Density: 2.000785255556923
  • Atomic Density: 0.08093004957816109
  • Unit Cell Volume: 395.40319284118135
  • Molar Volume: 7.441167763259433
  • Full Formula: K2 Li2 H8 S4 N4 O12
  • Reduced Formula: KLiH4S2(NO3)2
  • Formula Anonymous: ABC2D2E4F6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -189.21991374
  • Final energy per atom: -5.913122304375
  • 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.