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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109156
  • 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: 6
  • Number of elements: 3
  • Element list: ['Na', 'Se', 'S']
  • Chemical System: Na-S-Se
  • Density: 2.2869226945075187
  • Atomic Density: 0.040709115435237725
  • Unit Cell Volume: 147.38713764353653
  • Molar Volume: 14.793101485047863
  • Full Formula: Na4 Se1 S1
  • Reduced Formula: Na4SeS
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm