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-118062
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sr', 'H', 'Cl']
  • Chemical System: Cl-H-Sr
  • Density: 2.6491363775588983
  • Atomic Density: 0.04000019597988833
  • Unit Cell Volume: 99.99951005267967
  • Molar Volume: 15.055278136706798
  • Full Formula: Sr1 H1 Cl2
  • Reduced Formula: SrHCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm