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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96911
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ag', 'I', 'O']
  • Chemical System: Ag-I-O
  • Density: 6.072475532086984
  • Atomic Density: 0.06466242868036812
  • Unit Cell Volume: 618.5972413396875
  • Molar Volume: 9.313199152738223
  • Full Formula: Ag8 I8 O24
  • Reduced Formula: AgIO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm