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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100403
  • 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: 10
  • Number of elements: 4
  • Element list: ['Fe', 'Ni', 'P', 'S']
  • Chemical System: Fe-Ni-P-S
  • Density: 3.423552364558218
  • Atomic Density: 0.05589173189228057
  • Unit Cell Volume: 178.9173400329207
  • Molar Volume: 10.774654060830313
  • Full Formula: Fe1 Ni1 P2 S6
  • Reduced Formula: FeNi(PS3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2