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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92664
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Pt']
  • Chemical System: Ca-Pt-Si
  • Density: 5.861747122272659
  • Atomic Density: 0.05525707853810894
  • Unit Cell Volume: 90.48614462220743
  • Molar Volume: 10.898405994893004
  • Full Formula: Ca1 Si3 Pt1
  • Reduced Formula: CaSi3Pt
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm