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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92719
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ti', 'H', 'Pd']
  • Chemical System: H-Pd-Ti
  • Density: 6.682063498886876
  • Atomic Density: 0.0985461885256069
  • Unit Cell Volume: 50.73762947920372
  • Molar Volume: 6.110982931049806
  • Full Formula: Ti2 H2 Pd1
  • Reduced Formula: Ti2H2Pd
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm