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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1236855
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Mg', 'S']
  • Chemical System: Mg-S
  • Density: 0.694059815544789
  • Atomic Density: 0.015542829525310616
  • Unit Cell Volume: 386.03009768776917
  • Molar Volume: 38.745459764538275
  • Full Formula: Mg4 S2
  • Reduced Formula: Mg2S
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m