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  1. Third-Parties
  2. MatprojStructure
  3. mp-27189

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-27189
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 2
  • Element list: ['Si', 'Cl']
  • Chemical System: Cl-Si
  • Density: 1.597880494897578
  • Atomic Density: 0.028772732959161385
  • Unit Cell Volume: 1529.2256061477183
  • Molar Volume: 20.93002694094973
  • Full Formula: Si12 Cl32
  • Reduced Formula: Si3Cl8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 219
  • Spacegroup Symbol: F-43c
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -193.22115874
  • Final energy per atom: -4.391389971363636
  • 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.