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template-Sr4MgNi2(SO3)2 1 - relaxed

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Version of · via Relax a crystal structure

template-Sr4MgNi2(SO3)2 1

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Structure

Formula: Sr₄MgNi₂S₂O₆
Space group: P4mm (99)
Crystal system: Tetragonal
Atoms per cell: 15
Lattice a, b, c: 3.826 Å3.825 Å17.488 Å
Angles α, β, γ: 90.00°89.99°90.01°
Volume: 255.94 Å³
Density: 4.23 g/cm³

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Sr4MgNi2(SO3)2 phase diagram 1.html
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Structure

Formula: Sr₄MgNi₂S₂O₆
Space group: P4mm (99)
Crystal system: Tetragonal
Atoms per cell: 15
Lattice a, b, c: 3.826 Å3.825 Å17.488 Å
Angles α, β, γ: 90.00°89.99°90.01°
Volume: 255.94 Å³
Density: 4.23 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -78.7121 eV; energy change = -0.3930 eV; symmetry: P4mm → P4mm

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Size: 1.22 KB
Type: .cif file
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template-Sr4MgNi2(SO3)2 1 - relaxed

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Structure

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