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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102644
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zn', 'Se', 'S']
  • Chemical System: S-Se-Zn
  • Density: 4.622045660170457
  • Atomic Density: 0.04603748642600806
  • Unit Cell Volume: 86.88571663070361
  • Molar Volume: 13.080950389589253
  • Full Formula: Zn2 Se1 S1
  • Reduced Formula: Zn2SeS
  • Formula Anonymous: ABC2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2