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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24653
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Cl']
  • Chemical System: Al-Cl-Cu
  • Density: 2.682700585311199
  • Atomic Density: 0.04172066617143947
  • Unit Cell Volume: 287.6272385174613
  • Molar Volume: 14.434430973018712
  • Full Formula: Al2 Cu2 Cl8
  • Reduced Formula: AlCuCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 112
  • Spacegroup Symbol: P-42c
  • Crystal System: tetragonal
  • Pointgroup: -42m