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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10821
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'S']
  • Chemical System: Ca-Ni-S
  • Density: 3.7371431503424906
  • Atomic Density: 0.055059929302267406
  • Unit Cell Volume: 236.10636927324663
  • Molar Volume: 10.937429154584846
  • Full Formula: Ca1 Ni4 S8
  • Reduced Formula: Ca(NiS2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m