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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112537
  • 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: 24
  • Number of elements: 4
  • Element list: ['Cu', 'Ni', 'Sb', 'S']
  • Chemical System: Cu-Ni-S-Sb
  • Density: 5.003150333305506
  • Atomic Density: 0.05313963232966594
  • Unit Cell Volume: 451.6403096489184
  • Molar Volume: 11.332672989982386
  • Full Formula: Cu4 Ni4 Sb4 S12
  • Reduced Formula: CuNiSbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222