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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110973
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Re', 'Os']
  • Chemical System: Os-Re-Ti
  • Density: 13.09102957087747
  • Atomic Density: 0.06678599303759916
  • Unit Cell Volume: 59.89279814628317
  • Molar Volume: 9.017071523679608
  • Full Formula: Ti2 Re1 Os1
  • Reduced Formula: Ti2ReOs
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm