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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104923
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ta', 'Nb', 'Al']
  • Chemical System: Al-Nb-Ta
  • Density: 5.657802937059015
  • Atomic Density: 0.06255439054931443
  • Unit Cell Volume: 127.8887050093349
  • Molar Volume: 9.627047289754149
  • Full Formula: Ta1 Nb1 Al6
  • Reduced Formula: TaNbAl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm