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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24471
  • 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: 4
  • Element list: ['Ba', 'Er', 'Ag', 'S']
  • Chemical System: Ag-Ba-Er-S
  • Density: 5.752562204600366
  • Atomic Density: 0.040864398495542055
  • Unit Cell Volume: 293.6541449719147
  • Molar Volume: 14.736888298152639
  • Full Formula: Ba2 Er2 Ag2 S6
  • Reduced Formula: BaErAgS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m