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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114198
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ag', 'P', 'S']
  • Chemical System: Ag-P-S
  • Density: 4.4083727469168466
  • Atomic Density: 0.052318243272744196
  • Unit Cell Volume: 76.45516649225581
  • Molar Volume: 11.510594361139999
  • Full Formula: Ag1 P1 S2
  • Reduced Formula: AgPS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm