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-120217
  • 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: 2
  • Element list: ['H', 'Cl']
  • Chemical System: Cl-H
  • Density: 1.717885329806878
  • Atomic Density: 0.0567475620168387
  • Unit Cell Volume: 70.48760964943446
  • Molar Volume: 10.612157678620715
  • Full Formula: H2 Cl2
  • Reduced Formula: HCl
  • Formula Anonymous: AB
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2