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-31901
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Sb', 'I', 'Br', 'Cl']
  • Chemical System: Br-Cl-I-Sb
  • Density: 3.6846031928329035
  • Atomic Density: 0.030430922114089123
  • Unit Cell Volume: 394.3357337319777
  • Molar Volume: 19.789544126932082
  • Full Formula: Sb1 I3 Br2 Cl6
  • Reduced Formula: SbI3(BrCl3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1