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-43384
  • 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: 2
  • Element list: ['Mg', 'O']
  • Chemical System: Mg-O
  • Density: 2.7677121332707024
  • Atomic Density: 0.08270834973588988
  • Unit Cell Volume: 145.08813243547047
  • Molar Volume: 7.281176301099374
  • Full Formula: Mg6 O6
  • Reduced Formula: MgO
  • Formula Anonymous: AB
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1