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-21813
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'Ni']
  • Chemical System: Ca-Mg-Ni
  • Density: 6.404036241504347
  • Atomic Density: 0.075015502977443
  • Unit Cell Volume: 159.96693381644556
  • Molar Volume: 8.027861603235326
  • Full Formula: Ca1 Mg2 Ni9
  • Reduced Formula: CaMg2Ni9
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m