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-55713
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ca', 'Mg', 'Ni', 'H']
  • Chemical System: Ca-H-Mg-Ni
  • Density: 2.8211678720555917
  • Atomic Density: 0.09356306493057369
  • Unit Cell Volume: 299.2633901078033
  • Molar Volume: 6.436450926942795
  • Full Formula: Ca4 Mg4 Ni4 H16
  • Reduced Formula: CaMgNiH4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23