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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23791
  • 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: ['Sc', 'Si', 'Ni']
  • Chemical System: Ni-Sc-Si
  • Density: 4.858315960131464
  • Atomic Density: 0.0666280889638579
  • Unit Cell Volume: 180.1042201061679
  • Molar Volume: 9.038441374578044
  • Full Formula: Sc4 Si4 Ni4
  • Reduced Formula: ScSiNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm