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How can I create a new material and set it active material on the active object using python script.

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You could do it like this:

obj = bpy.context.object  # Select the active object.
mat = bpy.data.materials.new(name='Material')  # Create a material.
# Settings for the material go here.
obj.data.materials.append(mat)  # Assign the new material.
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    $\begingroup$ bpy.ops.material.new(name='zz') now gives me 'keyword "name" unrecognized' in blender 2.9 $\endgroup$
    – james_t
    Commented Aug 2, 2021 at 19:27

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