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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59247
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ta', 'H', 'O']
  • Chemical System: H-O-Ta
  • Density: 4.987483782225584
  • Atomic Density: 0.06530725008668956
  • Unit Cell Volume: 306.2447120871233
  • Molar Volume: 9.22124381597165
  • Full Formula: Ta4 H4 O12
  • Reduced Formula: TaHO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm