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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25900
  • 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: 9
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Cu', 'S']
  • Chemical System: Cu-Na-S-Zr
  • Density: 3.904451600751954
  • Atomic Density: 0.053907891612591866
  • Unit Cell Volume: 166.9514375497811
  • Molar Volume: 11.171167300101459
  • Full Formula: Na2 Zr1 Cu2 S4
  • Reduced Formula: Na2Zr(CuS2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m