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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120555
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ti', 'Cr', 'Cu', 'S']
  • Chemical System: Cr-Cu-S-Ti
  • Density: 3.927658486510001
  • Atomic Density: 0.056766515855817476
  • Unit Cell Volume: 493.2485212077806
  • Molar Volume: 10.608614372768216
  • Full Formula: Ti4 Cr4 Cu4 S16
  • Reduced Formula: TiCrCuS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm