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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202312

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-1202312
  • 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: 232
  • Number of elements: 5
  • Element list: ['Si', 'Sb', 'H', 'C', 'Cl']
  • Chemical System: C-Cl-H-Sb-Si
  • Density: 1.1097522935729047
  • Atomic Density: 0.08143142710113037
  • Unit Cell Volume: 2849.022892744803
  • Molar Volume: 7.395352107142924
  • Full Formula: Si16 Sb4 H152 C56 Cl4
  • Reduced Formula: Si4SbH38C14Cl
  • Formula Anonymous: ABC4D14E38
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1193.5166865899998
  • Final energy per atom: -5.144468476681034
  • 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.