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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119136
  • 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: 14
  • Number of elements: 5
  • Element list: ['Ti', 'Al', 'Cr', 'Cu', 'S']
  • Chemical System: Al-Cr-Cu-S-Ti
  • Density: 3.455745851706123
  • Atomic Density: 0.05584067212020487
  • Unit Cell Volume: 250.71331465823047
  • Molar Volume: 10.784506223414537
  • Full Formula: Ti2 Al2 Cr1 Cu1 S8
  • Reduced Formula: Ti2Al2CrCuS8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m