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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21663
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sm', 'Sb', 'Ir']
  • Chemical System: Ir-Sb-Sm
  • Density: 11.565390109013467
  • Atomic Density: 0.0449986155776041
  • Unit Cell Volume: 266.67487090363784
  • Molar Volume: 13.382946747804464
  • Full Formula: Sm4 Sb4 Ir4
  • Reduced Formula: SmSbIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm