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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199586

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-1199586
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 404
  • Number of elements: 5
  • Element list: ['K', 'Si', 'H', 'C', 'O']
  • Chemical System: C-H-K-O-Si
  • Density: 0.9585240483246951
  • Atomic Density: 0.08395227003388586
  • Unit Cell Volume: 4812.258201439133
  • Molar Volume: 7.173291154091805
  • Full Formula: K4 Si28 H248 C100 O24
  • Reduced Formula: KSi7H62C25O6
  • Formula Anonymous: AB6C7D25E62
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -2146.41745175
  • Final energy per atom: -5.312914484529703
  • 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.