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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114049
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'I']
  • Chemical System: Ba-I-Sb
  • Density: 5.299877155178764
  • Atomic Density: 0.024891291789304923
  • Unit Cell Volume: 160.69877103440191
  • Molar Volume: 24.193765478204483
  • Full Formula: Ba1 Sb1 I2
  • Reduced Formula: BaSbI2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2