Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-698318

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-698318
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 5
  • Element list: ['Cu', 'Si', 'H', 'C', 'O']
  • Chemical System: C-Cu-H-O-Si
  • Density: 1.2941522833091104
  • Atomic Density: 0.08972464356463031
  • Unit Cell Volume: 1426.5868875566973
  • Molar Volume: 6.711802377528691
  • Full Formula: Cu4 Si8 H72 C36 O8
  • Reduced Formula: CuSi2H18C9O2
  • Formula Anonymous: AB2C2D9E18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -711.50379292
  • Final energy per atom: -5.5586233821875
  • 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.