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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197910

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-1197910
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 352
  • Number of elements: 5
  • Element list: ['K', 'Si', 'H', 'C', 'O']
  • Chemical System: C-H-K-O-Si
  • Density: 0.9326471736825873
  • Atomic Density: 0.07382465662680372
  • Unit Cell Volume: 4768.054686382359
  • Molar Volume: 8.157356952492108
  • Full Formula: K8 Si32 H216 C72 O24
  • Reduced Formula: KSi4H27(C3O)3
  • Formula Anonymous: AB3C4D9E27
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -1839.37234836
  • Final energy per atom: -5.2254896260227275
  • 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.