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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111001
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Sr', 'Ni', 'O', 'F']
  • Chemical System: F-Ni-O-Sr
  • Density: 5.349445734220857
  • Atomic Density: 0.07493629883234813
  • Unit Cell Volume: 93.412673284823
  • Molar Volume: 8.03634667555851
  • Full Formula: Sr2 Ni1 O3 F1
  • Reduced Formula: Sr2NiO3F
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm