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: 267
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Pt']
  • Chemical System: Ba-Pt-Sb
  • Density: 8.669771481057554
  • Atomic Density: 0.034487396311524816
  • Unit Cell Volume: 86.9883006795
  • Molar Volume: 17.461859705505088
  • Full Formula: Ba1 Sb1 Pt1
  • Reduced Formula: BaSbPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2