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  1. Third-Parties
  2. MatprojStructure
  3. mp-974267

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-974267
  • 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: 24
  • Number of elements: 3
  • Element list: ['K', 'H', 'N']
  • Chemical System: H-K-N
  • Density: 1.3296483371931238
  • Atomic Density: 0.10774375950610747
  • Unit Cell Volume: 222.75071994902459
  • Molar Volume: 5.589317458018193
  • Full Formula: K2 H16 N6
  • Reduced Formula: KH8N3
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -116.77395496999998
  • Final energy per atom: -4.865581457083333
  • 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.