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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50996
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nb', 'H', 'O']
  • Chemical System: H-Nb-O
  • Density: 4.090140373926305
  • Atomic Density: 0.0867837491309975
  • Unit Cell Volume: 230.45789332989744
  • Molar Volume: 6.939249364428538
  • Full Formula: Nb4 H4 O12
  • Reduced Formula: NbHO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1