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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22866
  • 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: 32
  • Number of elements: 3
  • Element list: ['Rb', 'Ta', 'S']
  • Chemical System: Rb-S-Ta
  • Density: 3.6906389286007806
  • Atomic Density: 0.03143579050269318
  • Unit Cell Volume: 1017.9479977530225
  • Molar Volume: 19.156956652590203
  • Full Formula: Rb12 Ta4 S16
  • Reduced Formula: Rb3TaS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm