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  1. Third-Parties
  2. MatprojStructure
  3. mp-24355

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-24355
  • 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: 176
  • Number of elements: 4
  • Element list: ['K', 'Be', 'H', 'N']
  • Chemical System: Be-H-K-N
  • Density: 1.300183440051307
  • Atomic Density: 0.08955121318178888
  • Unit Cell Volume: 1965.3558421673213
  • Molar Volume: 6.724800866488609
  • Full Formula: K16 Be16 H96 N48
  • Reduced Formula: KBe(H2N)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -909.17508345
  • Final energy per atom: -5.165767519602273
  • 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.