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-110215
  • 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: 8
  • Number of elements: 3
  • Element list: ['Mg', 'Zn', 'O']
  • Chemical System: Mg-O-Zn
  • Density: 4.3805201705368875
  • Atomic Density: 0.10430961035542914
  • Unit Cell Volume: 76.69475490072726
  • Molar Volume: 5.773332619573492
  • Full Formula: Mg3 Zn1 O4
  • Reduced Formula: Mg3ZnO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m