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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23770
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'V', 'P']
  • Chemical System: P-V-Zr
  • Density: 6.187358490212863
  • Atomic Density: 0.06456272830859056
  • Unit Cell Volume: 185.86575125269775
  • Molar Volume: 9.327580970890768
  • Full Formula: Zr4 V4 P4
  • Reduced Formula: ZrVP
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm