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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53547
  • 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: 26
  • Number of elements: 3
  • Element list: ['Na', 'Nd', 'Cl']
  • Chemical System: Cl-Na-Nd
  • Density: 3.788941276868028
  • Atomic Density: 0.04153484184442058
  • Unit Cell Volume: 625.9804743542705
  • Molar Volume: 14.499009729126874
  • Full Formula: Na3 Nd5 Cl18
  • Reduced Formula: Na3Nd5Cl18
  • Formula Anonymous: A3B5C18
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6