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-99125
  • 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: 40
  • Number of elements: 4
  • Element list: ['Mg', 'Si', 'O', 'F']
  • Chemical System: F-Mg-O-Si
  • Density: 3.1369394134476374
  • Atomic Density: 0.09306189522153384
  • Unit Cell Volume: 429.8214634978151
  • Molar Volume: 6.471113387132611
  • Full Formula: Mg12 Si4 O16 F8
  • Reduced Formula: Mg3Si(O2F)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm