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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-64051
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Ta', 'Ti']
  • Chemical System: Ba-Ta-Ti
  • Density: 5.635024760700439
  • Atomic Density: 0.026166750660320294
  • Unit Cell Volume: 229.29862702053038
  • Molar Volume: 23.014476799872888
  • Full Formula: Ba4 Ta1 Ti1
  • Reduced Formula: Ba4TaTi
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m