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: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 158
  • 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: 5
  • Number of elements: 2
  • Element list: ['Al', 'Ni']
  • Chemical System: Al-Ni
  • Density: 4.792098384728053
  • Atomic Density: 0.07275370596778122
  • Unit Cell Volume: 68.72502140597808
  • Molar Volume: 8.277435052816262
  • Full Formula: Al3 Ni2
  • Reduced Formula: Al3Ni2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1