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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99875
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'In', 'I']
  • Chemical System: Ca-I-In
  • Density: 4.527870734868115
  • Atomic Density: 0.025454626458003678
  • Unit Cell Volume: 392.85589268019714
  • Molar Volume: 23.65833484115601
  • Full Formula: Ca2 In2 I6
  • Reduced Formula: CaInI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm