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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36509
  • 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: 22
  • Number of elements: 3
  • Element list: ['Cd', 'S', 'Cl']
  • Chemical System: Cd-Cl-S
  • Density: 4.234938096832717
  • Atomic Density: 0.03685359793228144
  • Unit Cell Volume: 596.9566401745915
  • Molar Volume: 16.340713248854822
  • Full Formula: Cd10 S8 Cl4
  • Reduced Formula: Cd5(S2Cl)2
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm