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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197756

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-1197756
  • 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: 44
  • Number of elements: 4
  • Element list: ['K', 'Y', 'B', 'H']
  • Chemical System: B-H-K-Y
  • Density: 1.0853185370215843
  • Atomic Density: 0.07673945629412227
  • Unit Cell Volume: 573.3686701057603
  • Molar Volume: 7.847515542615665
  • Full Formula: K2 Y2 B8 H32
  • Reduced Formula: KY(BH4)4
  • Formula Anonymous: ABC4D16
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -196.74285981
  • Final energy per atom: -4.471428632045455
  • 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.