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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40594
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Rb', 'Ba', 'Ta', 'S']
  • Chemical System: Ba-Rb-S-Ta
  • Density: 4.267624958871265
  • Atomic Density: 0.0338159325728686
  • Unit Cell Volume: 828.0120602814641
  • Molar Volume: 17.808589921402078
  • Full Formula: Rb4 Ba4 Ta4 S16
  • Reduced Formula: RbBaTaS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm