Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-560249

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-560249
  • 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: 28
  • Number of elements: 6
  • Element list: ['Si', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-O-Si
  • Density: 1.2175179037928017
  • Atomic Density: 0.08170762632693233
  • Unit Cell Volume: 342.68527013580234
  • Molar Volume: 7.370353332630092
  • Full Formula: Si2 H16 C4 N2 Cl2 O2
  • Reduced Formula: SiH8C2NClO
  • Formula Anonymous: ABCDE2F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -144.08004702000002
  • Final energy per atom: -5.145715965000001
  • 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.