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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105383
  • 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', 'Fe', 'Ni']
  • Chemical System: Fe-Ni-Th
  • Density: 10.260700392761487
  • Atomic Density: 0.07093534261985765
  • Unit Cell Volume: 84.58407020255034
  • Molar Volume: 8.489619613557997
  • Full Formula: Th1 Fe1 Ni4
  • Reduced Formula: ThFeNi4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2