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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112499
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ag', 'Bi', 'S']
  • Chemical System: Ag-Bi-S
  • Density: 7.040721145050788
  • Atomic Density: 0.044517160598581476
  • Unit Cell Volume: 269.558970937207
  • Molar Volume: 13.52768388420508
  • Full Formula: Ag3 Bi3 S6
  • Reduced Formula: AgBiS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m