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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-70230
  • 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', 'Ni', 'Cl']
  • Chemical System: Be-Cl-Ni
  • Density: 3.6240844509062553
  • Atomic Density: 0.07782686296770502
  • Unit Cell Volume: 51.396135569023734
  • Molar Volume: 7.737869072917591
  • Full Formula: Be2 Ni1 Cl1
  • Reduced Formula: Be2NiCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2