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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108715
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zr', 'H', 'C']
  • Chemical System: C-H-Zr
  • Density: 6.11342399497131
  • Atomic Density: 0.07533950516773921
  • Unit Cell Volume: 53.0929953826246
  • Molar Volume: 7.993337289104885
  • Full Formula: Zr2 H1 C1
  • Reduced Formula: Zr2HC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1