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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35466
  • 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', 'Nb', 'Se']
  • Chemical System: Nb-Se-Ti
  • Density: 6.476977452238301
  • Atomic Density: 0.049686455226183736
  • Unit Cell Volume: 140.88346548640774
  • Molar Volume: 12.12028657022499
  • Full Formula: Ti1 Nb2 Se4
  • Reduced Formula: Ti(NbSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m