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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15819
  • 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', 'P', 'Se']
  • Chemical System: Nb-P-Se
  • Density: 6.251144312346013
  • Atomic Density: 0.055677249978996514
  • Unit Cell Volume: 107.76394312332988
  • Molar Volume: 10.816160572355443
  • Full Formula: Nb2 P2 Se2
  • Reduced Formula: NbPSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm