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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98063
  • 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: 40
  • Number of elements: 3
  • Element list: ['Nd', 'S', 'Cl']
  • Chemical System: Cl-Nd-S
  • Density: 4.43911491675799
  • Atomic Density: 0.03965604822839022
  • Unit Cell Volume: 1008.6733748564371
  • Molar Volume: 15.185932610624274
  • Full Formula: Nd12 S8 Cl20
  • Reduced Formula: Nd3S2Cl5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m