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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86831
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Tl', 'P', 'Au', 'Se']
  • Chemical System: Au-P-Se-Tl
  • Density: 6.8868803448032665
  • Atomic Density: 0.037184881486109315
  • Unit Cell Volume: 322.71179900042677
  • Molar Volume: 16.195132320778306
  • Full Formula: Tl2 P2 Au2 Se6
  • Reduced Formula: TlPAuSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m