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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110128
  • 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: 8
  • Number of elements: 3
  • Element list: ['Y', 'Sc', 'N']
  • Chemical System: N-Sc-Y
  • Density: 4.726780618703701
  • Atomic Density: 0.0813875595934613
  • Unit Cell Volume: 98.29512077718965
  • Molar Volume: 7.399338166767959
  • Full Formula: Y1 Sc3 N4
  • Reduced Formula: YSc3N4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm