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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71866
  • 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: ['Be', 'P', 'Cl']
  • Chemical System: Be-Cl-P
  • Density: 2.436215474526072
  • Atomic Density: 0.052920823587892955
  • Unit Cell Volume: 75.58461355682881
  • Molar Volume: 11.379529553235686
  • Full Formula: Be1 P1 Cl2
  • Reduced Formula: BePCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2