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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92360
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'Cu']
  • Chemical System: Ca-Cu-Ga
  • Density: 4.452403535227308
  • Atomic Density: 0.04840398601067705
  • Unit Cell Volume: 103.29727801543223
  • Molar Volume: 12.441414966675726
  • Full Formula: Ca2 Ga1 Cu2
  • Reduced Formula: Ca2GaCu2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm