Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 16
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['C', 'Ca']
  • Chemical System: C-Ca
  • Density: 2.53126693956333
  • Atomic Density: 0.09515197732447611
  • Unit Cell Volume: 73.56652165124663
  • Molar Volume: 6.328970694391356
  • Full Formula: Ca1 C6
  • Reduced Formula: CaC6
  • Formula Anonymous: AB6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m