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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117999
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nb', 'Ag', 'S']
  • Chemical System: Ag-Nb-S
  • Density: 6.0542513914508795
  • Atomic Density: 0.04697597473119823
  • Unit Cell Volume: 127.72486434464999
  • Molar Volume: 12.819618527256457
  • Full Formula: Nb2 Ag2 S2
  • Reduced Formula: NbAgS
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm