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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110975
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'Si', 'Mo']
  • Chemical System: Mo-Si-Ti
  • Density: 5.417862754289876
  • Atomic Density: 0.07192577994996607
  • Unit Cell Volume: 125.12898721794458
  • Molar Volume: 8.372715268696702
  • Full Formula: Ti1 Si6 Mo2
  • Reduced Formula: Ti(Si3Mo)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222