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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112297
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nd', 'B', 'S']
  • Chemical System: B-Nd-S
  • Density: 4.113390919240315
  • Atomic Density: 0.04929674887985465
  • Unit Cell Volume: 405.7062677448308
  • Molar Volume: 12.216101257868095
  • Full Formula: Nd4 B4 S12
  • Reduced Formula: NdBS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2