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-79198
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ca', 'Mg']
  • Chemical System: Ca-Mg
  • Density: 1.6326228334217208
  • Atomic Density: 0.02720894572192508
  • Unit Cell Volume: 147.01047371992746
  • Molar Volume: 22.132944148392102
  • Full Formula: Ca3 Mg1
  • Reduced Formula: Ca3Mg
  • Formula Anonymous: AB3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2