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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198663

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-1198663
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['K', 'Li', 'H', 'N']
  • Chemical System: H-K-Li-N
  • Density: 1.5022041771602572
  • Atomic Density: 0.08149659773320185
  • Unit Cell Volume: 588.981642609661
  • Molar Volume: 7.3894382434404005
  • Full Formula: K8 Li4 H24 N12
  • Reduced Formula: K2Li(H2N)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -221.76011593
  • Final energy per atom: -4.620002415208334
  • 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.