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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204470

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-1204470
  • 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: 68
  • Number of elements: 3
  • Element list: ['Si', 'H', 'C']
  • Chemical System: C-H-Si
  • Density: 0.6773988424369773
  • Atomic Density: 0.07860670591790417
  • Unit Cell Volume: 865.0661442424305
  • Molar Volume: 7.661103069615264
  • Full Formula: Si4 H48 C16
  • Reduced Formula: Si(H3C)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -347.45342155
  • Final energy per atom: -5.109609140441176
  • 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.