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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94302
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'Ni']
  • Chemical System: Ni-Si-Th
  • Density: 8.949704382671339
  • Atomic Density: 0.05071535049903977
  • Unit Cell Volume: 118.3073752021807
  • Molar Volume: 11.874394440227759
  • Full Formula: Th2 Si2 Ni2
  • Reduced Formula: ThSiNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm