Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1196240

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-1196240
  • 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: 170
  • Number of elements: 5
  • Element list: ['U', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Si-U
  • Density: 1.2464452777894435
  • Atomic Density: 0.0831469659379858
  • Unit Cell Volume: 2044.5724998166802
  • Molar Volume: 7.24276669877713
  • Full Formula: U2 Si16 H112 C32 N8
  • Reduced Formula: USi8H56(C4N)4
  • Formula Anonymous: AB4C8D16E56
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -897.32767125
  • Final energy per atom: -5.278398066176471
  • 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.