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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65373
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sc', 'Ta']
  • Chemical System: Ba-Sc-Ta
  • Density: 5.96480598661424
  • Atomic Density: 0.03520046186501472
  • Unit Cell Volume: 113.63487261442862
  • Molar Volume: 17.10812995321896
  • Full Formula: Ba1 Sc2 Ta1
  • Reduced Formula: BaSc2Ta
  • Formula Anonymous: ABC2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2