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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96848
  • 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: 36
  • Number of elements: 2
  • Element list: ['Ti', 'Se']
  • Chemical System: Se-Ti
  • Density: 5.895843019728197
  • Atomic Density: 0.06097335325071835
  • Unit Cell Volume: 590.4218495573043
  • Molar Volume: 9.876676349482306
  • Full Formula: Ti24 Se12
  • Reduced Formula: Ti2Se
  • Formula Anonymous: AB2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm