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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92777
  • 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: 5
  • Number of elements: 3
  • Element list: ['Th', 'Ge', 'Au']
  • Chemical System: Au-Ge-Th
  • Density: 12.239477826657696
  • Atomic Density: 0.04778459892032699
  • Unit Cell Volume: 104.63622407580908
  • Molar Volume: 12.602681399588464
  • Full Formula: Th1 Ge2 Au2
  • Reduced Formula: Th(GeAu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm