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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93894
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nd', 'Sc', 'Sb']
  • Chemical System: Nd-Sb-Sc
  • Density: 6.297325731293953
  • Atomic Density: 0.03658699185489222
  • Unit Cell Volume: 163.99271150240006
  • Molar Volume: 16.459786538025405
  • Full Formula: Nd2 Sc2 Sb2
  • Reduced Formula: NdScSb
  • Formula Anonymous: ABC
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm