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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91573
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'H', 'Pd']
  • Chemical System: H-Pd-Ti
  • Density: 6.7940298650357835
  • Atomic Density: 0.08055564775376432
  • Unit Cell Volume: 99.31023116409817
  • Molar Volume: 7.475752387229222
  • Full Formula: Ti4 H2 Pd2
  • Reduced Formula: Ti2HPd
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm