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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105988
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Se', 'S']
  • Chemical System: S-Se-Ta
  • Density: 12.541207124382318
  • Atomic Density: 0.054281327324077096
  • Unit Cell Volume: 110.53524841384326
  • Molar Volume: 11.09431374816218
  • Full Formula: Ta4 Se1 S1
  • Reduced Formula: Ta4SeS
  • Formula Anonymous: ABC4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm