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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96816
  • 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: 45
  • Number of elements: 5
  • Element list: ['Na', 'Nd', 'H', 'S', 'O']
  • Chemical System: H-Na-Nd-O-S
  • Density: 3.465476904230123
  • Atomic Density: 0.08295359461976597
  • Unit Cell Volume: 542.4719713023445
  • Molar Volume: 7.259650154527554
  • Full Formula: Na3 Nd3 H6 S6 O27
  • Reduced Formula: NaNdH2S2O9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321