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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87331
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Sb', 'Ir', 'S']
  • Chemical System: Ir-S-Sb
  • Density: 10.020797521436938
  • Atomic Density: 0.05231733710567521
  • Unit Cell Volume: 229.3694722222068
  • Molar Volume: 11.510793731408663
  • Full Formula: Sb4 Ir4 S4
  • Reduced Formula: SbIrS
  • Formula Anonymous: ABC
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2