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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196075

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-1196075
  • 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: 172
  • Number of elements: 3
  • Element list: ['Si', 'H', 'C']
  • Chemical System: C-H-Si
  • Density: 0.9295903798215616
  • Atomic Density: 0.08498312939358257
  • Unit Cell Volume: 2023.9311170034227
  • Molar Volume: 7.086277950662001
  • Full Formula: Si20 H114 C38
  • Reduced Formula: Si10(H3C)19
  • Formula Anonymous: A10B19C57
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -876.44021058
  • Final energy per atom: -5.095582619651163
  • 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.