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  1. Third-Parties
  2. MatprojStructure
  3. mp-707956

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-707956
  • 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: 128
  • Number of elements: 4
  • Element list: ['K', 'Li', 'H', 'N']
  • Chemical System: H-K-Li-N
  • Density: 1.1928177514041602
  • Atomic Density: 0.10648559234443289
  • Unit Cell Volume: 1202.040550105386
  • Molar Volume: 5.655357337470678
  • Full Formula: K4 Li28 H64 N32
  • Reduced Formula: KLi7(H2N)8
  • Formula Anonymous: AB7C8D16
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -613.49422168
  • Final energy per atom: -4.792923606875
  • 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.