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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86959
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Zr', 'Tl', 'Cu', 'Se']
  • Chemical System: Cu-Se-Tl-Zr
  • Density: 6.857799630003637
  • Atomic Density: 0.041573483921146424
  • Unit Cell Volume: 288.64552277506334
  • Molar Volume: 14.485533065793478
  • Full Formula: Zr2 Tl2 Cu2 Se6
  • Reduced Formula: ZrTlCuSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm