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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57585
  • 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: ['Nd', 'Cu', 'Sn', 'S']
  • Chemical System: Cu-Nd-S-Sn
  • Density: 5.128034523659971
  • Atomic Density: 0.04414636819814991
  • Unit Cell Volume: 543.6460796112735
  • Molar Volume: 13.641305062671899
  • Full Formula: Nd6 Cu2 Sn2 S14
  • Reduced Formula: Nd3CuSnS7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6