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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53075
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Na', 'Nd', 'S']
  • Chemical System: Na-Nd-S
  • Density: 3.986447765175467
  • Atomic Density: 0.04150547371293059
  • Unit Cell Volume: 192.74566182117047
  • Molar Volume: 14.509268829580583
  • Full Formula: Na2 Nd2 S4
  • Reduced Formula: NaNdS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm