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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111680
  • 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: 20
  • Number of elements: 3
  • Element list: ['Mn', 'Nb', 'Se']
  • Chemical System: Mn-Nb-Se
  • Density: 6.447526999557526
  • Atomic Density: 0.04808903734028645
  • Unit Cell Volume: 415.89520410809007
  • Molar Volume: 12.522897302739246
  • Full Formula: Mn2 Nb6 Se12
  • Reduced Formula: Mn(NbSe2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622