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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2631
  • 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', 'Se', 'N']
  • Chemical System: N-Se-Th
  • Density: 9.27955098444548
  • Atomic Density: 0.04892987410026992
  • Unit Cell Volume: 102.18706039900515
  • Molar Volume: 12.307697231468614
  • Full Formula: Th2 Se1 N2
  • Reduced Formula: Th2SeN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1