Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-29441
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 27
  • Number of elements: 6
  • Element list: ['Cd', 'Hg', 'C', 'S', 'Br', 'N']
  • Chemical System: Br-C-Cd-Hg-N-S
  • Density: 4.013338309655217
  • Atomic Density: 0.041226081885737224
  • Unit Cell Volume: 654.9252018378455
  • Molar Volume: 14.60759908421821
  • Full Formula: Cd1 Hg4 C6 S6 Br4 N6
  • Reduced Formula: CdHg4C6S6(Br2N3)2
  • Formula Anonymous: AB4C4D6E6F6
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2