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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40416
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Pr', 'Si', 'Ag', 'S']
  • Chemical System: Ag-Pr-S-Si
  • Density: 4.81947000176697
  • Atomic Density: 0.044473023276637665
  • Unit Cell Volume: 539.6529903243064
  • Molar Volume: 13.541109455366215
  • Full Formula: Pr6 Si2 Ag2 S14
  • Reduced Formula: Pr3SiAgS7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6