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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-17777
  • 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: 4
  • Number of elements: 3
  • Element list: ['Nb', 'In', 'S']
  • Chemical System: In-Nb-S
  • Density: 5.504072561533535
  • Atomic Density: 0.04877066866498655
  • Unit Cell Volume: 82.01650929735317
  • Molar Volume: 12.347874090812736
  • Full Formula: Nb1 In1 S2
  • Reduced Formula: NbInS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2