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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109801
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Zr', 'Cr', 'Cu', 'S']
  • Chemical System: Cr-Cu-S-Zr
  • Density: 4.386370838611093
  • Atomic Density: 0.05519193829186047
  • Unit Cell Volume: 126.83011716282371
  • Molar Volume: 10.911268830883088
  • Full Formula: Zr1 Cr1 Cu1 S4
  • Reduced Formula: ZrCrCuS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m