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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98990
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Ti', 'Si', 'Ni']
  • Chemical System: Ni-Si-Ti
  • Density: 5.207820621888525
  • Atomic Density: 0.07553037011108038
  • Unit Cell Volume: 397.19122196647317
  • Molar Volume: 7.973138157728351
  • Full Formula: Ti8 Si14 Ni8
  • Reduced Formula: Ti4Si7Ni4
  • Formula Anonymous: A4B4C7
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm