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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-28541
  • 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: 9
  • Number of elements: 3
  • Element list: ['Mo', 'Se', 'S']
  • Chemical System: Mo-S-Se
  • Density: 6.136200859026367
  • Atomic Density: 0.04980272059436933
  • Unit Cell Volume: 180.7130191401137
  • Molar Volume: 12.09199153807043
  • Full Formula: Mo3 Se4 S2
  • Reduced Formula: Mo3(Se2S)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m