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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107147
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ca', 'Cl']
  • Chemical System: Ca-Cl
  • Density: 2.4746660599227104
  • Atomic Density: 0.040283610300581814
  • Unit Cell Volume: 74.47197452301516
  • Molar Volume: 14.949357108424374
  • Full Formula: Ca1 Cl2
  • Reduced Formula: CaCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m