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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108920
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ti', 'V', 'H']
  • Chemical System: H-Ti-V
  • Density: 4.239863660038793
  • Atomic Density: 0.14896727666452464
  • Unit Cell Volume: 40.277302064882626
  • Molar Volume: 4.042593041129363
  • Full Formula: Ti1 V1 H4
  • Reduced Formula: TiVH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m