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-110599
  • 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: 6
  • Number of elements: 4
  • Element list: ['Cr', 'S', 'Br', 'Cl']
  • Chemical System: Br-Cl-Cr-S
  • Density: 3.702196588043587
  • Atomic Density: 0.04718896267964974
  • Unit Cell Volume: 127.14837663908858
  • Molar Volume: 12.761757025434784
  • Full Formula: Cr2 S2 Br1 Cl1
  • Reduced Formula: Cr2S2BrCl
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2