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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35458
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ti', 'Ni', 'Se']
  • Chemical System: Ni-Se-Ti
  • Density: 5.965941820296269
  • Atomic Density: 0.05347897599141985
  • Unit Cell Volume: 130.89255862197282
  • Molar Volume: 11.260763035115314
  • Full Formula: Ti2 Ni1 Se4
  • Reduced Formula: Ti2NiSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m