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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29896
  • 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: 11
  • Number of elements: 3
  • Element list: ['Zn', 'In', 'S']
  • Chemical System: In-S-Zn
  • Density: 4.236383148037437
  • Atomic Density: 0.04539129644910544
  • Unit Cell Volume: 242.33720692101505
  • Molar Volume: 13.267170649669083
  • Full Formula: Zn3 In2 S6
  • Reduced Formula: Zn3(InS3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1