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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41032
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'In', 'Bi', 'S']
  • Chemical System: Ba-Bi-In-S
  • Density: 5.042858299660473
  • Atomic Density: 0.03602100203749611
  • Unit Cell Volume: 499.7084751074631
  • Molar Volume: 16.718415422567215
  • Full Formula: Ba4 In2 Bi2 S10
  • Reduced Formula: Ba2InBiS5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2