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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122107
  • 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: 19
  • Number of elements: 3
  • Element list: ['Nd', 'Zr', 'F']
  • Chemical System: F-Nd-Zr
  • Density: 4.302298346674749
  • Atomic Density: 0.07003540312449273
  • Unit Cell Volume: 271.2913634012529
  • Molar Volume: 8.59870935460346
  • Full Formula: Nd1 Zr3 F15
  • Reduced Formula: NdZr3F15
  • Formula Anonymous: AB3C15
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m