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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199737

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-1199737
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 7
  • Element list: ['K', 'Al', 'Si', 'B', 'H', 'Cl', 'O']
  • Chemical System: Al-B-Cl-H-K-O-Si
  • Density: 2.3794457040416117
  • Atomic Density: 0.06972847015108365
  • Unit Cell Volume: 1319.403678306145
  • Molar Volume: 8.636559423936264
  • Full Formula: K12 Al8 Si12 B2 H8 Cl2 O48
  • Reduced Formula: K6Al4Si6BH4ClO24
  • Formula Anonymous: ABC4D4E6F6G24
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -653.9706564999999
  • Final energy per atom: -7.108376701086955
  • 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.