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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110205
  • 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: 7
  • Number of elements: 3
  • Element list: ['Na', 'Nb', 'S']
  • Chemical System: Na-Nb-S
  • Density: 4.091257742935335
  • Atomic Density: 0.05116763068318013
  • Unit Cell Volume: 136.8052400812267
  • Molar Volume: 11.769434463924872
  • Full Formula: Na1 Nb2 S4
  • Reduced Formula: Na(NbS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1