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-34228
  • 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: 4
  • Number of elements: 2
  • Element list: ['Mg', 'O']
  • Chemical System: Mg-O
  • Density: 2.7909990863522074
  • Atomic Density: 0.08340424055365073
  • Unit Cell Volume: 47.959192163939846
  • Molar Volume: 7.220425148678369
  • Full Formula: Mg2 O2
  • Reduced Formula: MgO
  • Formula Anonymous: AB
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm