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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31918
  • 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: 44
  • Number of elements: 3
  • Element list: ['Al', 'Cr', 'Cl']
  • Chemical System: Al-Cl-Cr
  • Density: 2.296992048604383
  • Atomic Density: 0.03905735997135439
  • Unit Cell Volume: 1126.548236549287
  • Molar Volume: 15.41870921233996
  • Full Formula: Al8 Cr4 Cl32
  • Reduced Formula: Al2CrCl8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2