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  1. Third-Parties
  2. MatprojStructure
  3. mp-569078

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-569078
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Si
  • Density: 0.8981754949550522
  • Atomic Density: 0.08415094977434552
  • Unit Cell Volume: 1378.4752318430048
  • Molar Volume: 7.156355069251905
  • Full Formula: Si8 H72 C28 N8
  • Reduced Formula: Si2H18C7N2
  • Formula Anonymous: A2B2C7D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -641.50771921
  • Final energy per atom: -5.530238958706897
  • 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.