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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110729
  • 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: 4
  • Number of elements: 3
  • Element list: ['Th', 'Cu', 'N']
  • Chemical System: Cu-N-Th
  • Density: 10.148765825813008
  • Atomic Density: 0.07554731284286892
  • Unit Cell Volume: 52.946952703924914
  • Molar Volume: 7.971350049902461
  • Full Formula: Th1 Cu1 N2
  • Reduced Formula: ThCuN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm