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-51974
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ca', 'Mg', 'Si', 'O']
  • Chemical System: Ca-Mg-O-Si
  • Density: 3.21936811016686
  • Atomic Density: 0.08673598656236682
  • Unit Cell Volume: 322.81871815531633
  • Molar Volume: 6.943070573907437
  • Full Formula: Ca4 Mg4 Si4 O16
  • Reduced Formula: CaMgSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm