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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15945
  • 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: 5
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'P']
  • Chemical System: Ni-P-Zr
  • Density: 6.732707480985306
  • Atomic Density: 0.07492896829226761
  • Unit Cell Volume: 66.72986581767711
  • Molar Volume: 8.037132896999282
  • Full Formula: Zr1 Ni2 P2
  • Reduced Formula: Zr(NiP)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm