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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85433
  • 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: ['Ca', 'Fe', 'Cl', 'O']
  • Chemical System: Ca-Cl-Fe-O
  • Density: 3.595436862553559
  • Atomic Density: 0.06626550388270668
  • Unit Cell Volume: 150.90808058594877
  • Molar Volume: 9.087897031100068
  • Full Formula: Ca2 Fe2 Cl2 O4
  • Reduced Formula: CaFeClO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m