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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107636
  • 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: 7
  • Number of elements: 4
  • Element list: ['Na', 'Cu', 'I', 'Cl']
  • Chemical System: Cl-Cu-I-Na
  • Density: 3.8579439645166187
  • Atomic Density: 0.03745196020994885
  • Unit Cell Volume: 186.90610480090436
  • Molar Volume: 16.079641028776543
  • Full Formula: Na2 Cu1 I2 Cl2
  • Reduced Formula: Na2Cu(ICl)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm