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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71004
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'Cl']
  • Chemical System: Be-Cl-Ti
  • Density: 3.2449765077317547
  • Atomic Density: 0.05575412073148058
  • Unit Cell Volume: 71.74357603565382
  • Molar Volume: 10.80124783781175
  • Full Formula: Ti2 Be1 Cl1
  • Reduced Formula: Ti2BeCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm