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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98497
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Pt']
  • Chemical System: Ca-P-Pt
  • Density: 7.388068422870409
  • Atomic Density: 0.05015333640401054
  • Unit Cell Volume: 239.266235516894
  • Molar Volume: 12.007457911650393
  • Full Formula: Ca4 P4 Pt4
  • Reduced Formula: CaPPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2