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-35832
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'Br']
  • Chemical System: Br-Ca-H
  • Density: 3.023749114858702
  • Atomic Density: 0.06699417317633585
  • Unit Cell Volume: 89.56002761922826
  • Molar Volume: 8.989051546541338
  • Full Formula: Ca2 H3 Br1
  • Reduced Formula: Ca2H3Br
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1