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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-77198
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'Au']
  • Chemical System: Au-Ca-Sn
  • Density: 6.386380704572388
  • Atomic Density: 0.03886459738301498
  • Unit Cell Volume: 102.92143156867289
  • Molar Volume: 15.495183703181395
  • Full Formula: Ca2 Sn1 Au1
  • Reduced Formula: Ca2SnAu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm