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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199830

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-1199830
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 272
  • Number of elements: 4
  • Element list: ['K', 'Cd', 'B', 'H']
  • Chemical System: B-Cd-H-K
  • Density: 1.7466521381318991
  • Atomic Density: 0.0912151362252811
  • Unit Cell Volume: 2981.961232050572
  • Molar Volume: 6.602128779511607
  • Full Formula: K16 Cd16 B48 H192
  • Reduced Formula: KCd(BH4)3
  • Formula Anonymous: ABC3D12
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1073.06811168
  • Final energy per atom: -3.9451033517647054
  • 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.