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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71825
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'Cl']
  • Chemical System: Be-Cl-Ti
  • Density: 3.2532047231048358
  • Atomic Density: 0.061325598050654934
  • Unit Cell Volume: 65.22561747699551
  • Molar Volume: 9.819946240109577
  • Full Formula: Ti1 Be1 Cl2
  • Reduced Formula: TiBeCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2