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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98524
  • 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: 28
  • Number of elements: 3
  • Element list: ['Nd', 'S', 'N']
  • Chemical System: N-Nd-S
  • Density: 5.588368237420815
  • Atomic Density: 0.04339023061314412
  • Unit Cell Volume: 645.3065495235697
  • Molar Volume: 13.879024552074458
  • Full Formula: Nd12 S12 N4
  • Reduced Formula: Nd3S3N
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm