According to Wikipedia, every $\sigma$-structure $A$ is associated with a collection of atomic and negated atomic sentences called its diagram. Here's the precise definition.
For each σ-structure $A$, there are several associated theories in a larger signature σ' that extends σ by adding one new constant symbol for each element of the domain of A... The diagram of $A$ consists of all atomic or negated atomic σ'-sentences that are satisfied by $A$ and is denoted by $\mathrm{diag}_A$.
I was wondering. Since the diagram apparently captures everything about the structure, could we in principle define that a mathematical structure is its diagram? Or better yet, an ordered triple $(X,\sigma,D),$ where $D$ is the diagram in the larger signature $\sigma'$.
If so, then question: How do we define the notion that a structure satisfies a theory? In particular, how do we define $(X,\sigma,D) \models (T,\sigma),$ where $T$ is a deductively-closed first order theory in the language generated by $\sigma$?
Edit. To facilitate ease of expression, feel free to use the phrase literal sentence to mean 'a sentence that is either atomic, or the negation of a sentence that is atomic.'
Edit2. If it helps, here's some terminology we can use.
concept generic example
atomic sentence 2<3
literal sentence not 3<2
quantifier-free sentence if 2<3 and 3<4, then 2<4.
sentence For all x,y,z : if x<y and y<z, then x<z.
atomic formula 2<x.
literal formula not 2<x.
quantifier-free formula if x<y and y<z, then x<z.
formula For all x : if x<y and y<z, then x<z.
We could, if we liked, replace the notion of structure with the purely syntactic notion of diagram... but we'd have to be careful about what we meant by diagram.
Here's a reasonable definition. Given a language $\mathcal{L}$ and a set of constants $A$ (disjoint from $\mathcal{L}$), I'll denote by $\mathcal{L}(A)$ the language obtained by adding the constants in $A$ to $\mathcal{L}$. When I say a quantifier-free theory $T$ is complete, I just mean that for every quantifier free sentence $\phi$, $\phi\in T$ or $\lnot\phi\in T$.
Definition: In a language $\mathcal{L}$, a diagram on the set of constants $A$ is a complete consistent quantifier-free $\mathcal{L}(A)$-theory $T$ satisfying closure in the following sense:
Now every $\mathcal{L}$-structure $A$ gives rise to a diagram in the usual way (taking the quantifier-free $\mathcal{L}(A)$-theory of $A$).
Conversely, given a diagram in the sense above, we can obtain a structure. I think this is where the previous answers (due to William and Alex Kocurek) misunderstood your question - it's true that a diagram doesn't have a unique model, but if it's closed in the sense above, it determines a canonical model.
Take the domain of the structure to be the quotient of the set $A$ by the equivalence relation $\sim$, where $a\sim b$ if and only if the sentence $a = b$ is in $T$. I'll denote by $[a]$ the equivalence class of $a$. Then interpret the constants and relations as dictated by the theory $T$ (of course, there's a well-definedness check to do):
A few observations:
This is the same "canonical model" construction appearing in Henkin's proof of the Completeness Theorem. There, too, we're interested in obtaining a structure from a suitable theory.
If you want to avoid the quotient, you can additionally require in the definition of diagram that $\lnot a = b$ is in $T$ for all $a\neq b$. This has the advantage of making the constructions inverses - the diagram associated to the structure associated to a diagram is the original diagram and vice versa.
This is all a little silly. We're just replacing the usual notion of structure, an arbitrary set together with interpretations of the symbols, with an arbitrary set of constants together with a syntactic description of how the symbols are to be interpreted.
But now for your last question: how do you define satisfaction in this setup? Given a diagram $D$ on the constants $A$, we'll define what it means for $D$ to satisfy $\phi(a_1,\dots,a_n)$, where $\phi$ is an $\mathcal{L}$-formula and the $a_i$ are constants from $A$.
An atomic formula should obviously be satisfied by $D$ if and only if it is in $D$. The definition for Boolean combinations is as usual. So we only need to worry about $\exists$. Well, since the constants in $A$ are the elements of the structure $D$ is describing, we say $D$ satisfies $\exists x\,\phi(x,a_1,\dots,a_n)$ if and only if there is a constant $a\in A$ such that $D$ satisfies $\phi(a,a_1,\dots,a_n)$.