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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-39339
  • 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: 8
  • Number of elements: 2
  • Element list: ['Pa', 'Ta']
  • Chemical System: Pa-Ta
  • Density: 15.068627711818468
  • Atomic Density: 0.04152843616706051
  • Unit Cell Volume: 192.63908633153474
  • Molar Volume: 14.501246172078678
  • Full Formula: Pa6 Ta2
  • Reduced Formula: Pa3Ta
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm