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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53374
  • 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: 23
  • Number of elements: 3
  • Element list: ['Ba', 'Nd', 'S']
  • Chemical System: Ba-Nd-S
  • Density: 4.268587826797002
  • Atomic Density: 0.030967770661346965
  • Unit Cell Volume: 742.7076443932693
  • Molar Volume: 19.446478165496924
  • Full Formula: Ba9 Nd2 S12
  • Reduced Formula: Ba9(NdS6)2
  • Formula Anonymous: A2B9C12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m