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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21669
  • 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: ['Ca', 'Ag', 'Sb']
  • Chemical System: Ag-Ca-Sb
  • Density: 5.97894301574247
  • Atomic Density: 0.040050287812363555
  • Unit Cell Volume: 299.62331497392114
  • Molar Volume: 15.036448147923075
  • Full Formula: Ca4 Ag4 Sb4
  • Reduced Formula: CaAgSb
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm