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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54982
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ti', 'Ni', 'Bi']
  • Chemical System: Bi-Ni-Ti
  • Density: 8.12282781492453
  • Atomic Density: 0.051250757333518256
  • Unit Cell Volume: 273.1666950576734
  • Molar Volume: 11.750344918437897
  • Full Formula: Ti8 Ni2 Bi4
  • Reduced Formula: Ti4NiBi2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm