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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106768
  • 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: ['Nb', 'Mo', 'Se']
  • Chemical System: Mo-Nb-Se
  • Density: 6.437666429968975
  • Atomic Density: 0.04609024727863363
  • Unit Cell Volume: 130.17938401865464
  • Molar Volume: 13.065976243507212
  • Full Formula: Nb1 Mo1 Se4
  • Reduced Formula: NbMoSe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2