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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-1198916
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['K', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-K-N-Si
  • Density: 1.0068989682326126
  • Atomic Density: 0.07781669029007703
  • Unit Cell Volume: 1130.8627965538328
  • Molar Volume: 7.738880614880027
  • Full Formula: K4 Si8 H56 C16 N4
  • Reduced Formula: KSi2H14C4N
  • Formula Anonymous: ABC2D4E14
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -444.06509655
  • Final energy per atom: -5.046194278977273
  • 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.