diff --git a/src/lib/Structure.svelte b/src/lib/Structure.svelte index c05c8fe..b1263ad 100644 --- a/src/lib/Structure.svelte +++ b/src/lib/Structure.svelte @@ -1,11 +1,8 @@
@@ -35,7 +40,8 @@ {mp_id} - +

canvas width={width}, height={height}

+ ``` diff --git a/src/routes/(demos)/structure/mp-756175.json b/src/routes/(demos)/structure/mp-756175.json new file mode 100644 index 0000000..a11a710 --- /dev/null +++ b/src/routes/(demos)/structure/mp-756175.json @@ -0,0 +1 @@ +{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[10.826368, 0.0, 6.629238458795666e-16], [1.7410127594534347e-15, 10.826368, 6.629238458795666e-16], [0.0, 0.0, 10.826368]], "pbc": [true, true, true], "a": 10.826368, "b": 10.826368, "c": 10.826368, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 1268.9612356870548}, "sites": [{"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.125, 0.625, 0.125], "xyz": [1.3532960000000012, 6.7664800000000005, 1.3532960000000005], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.375, 0.875, 0.125], "xyz": [4.059888000000002, 9.473072, 1.353296000000001], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.125, 0.875, 0.375], "xyz": [1.3532960000000016, 9.473072, 4.059888000000001], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.375, 0.625, 0.375], "xyz": [4.059888000000001, 6.7664800000000005, 4.059888000000001], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.125, 0.125, 0.625], "xyz": [1.3532960000000003, 1.353296, 6.7664800000000005], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.375, 0.375, 0.625], "xyz": [4.059888000000001, 4.059888, 6.7664800000000005], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", "oxidation_state": 4, "occu": 1}], "abc": [0.125, 0.375, 0.875], "xyz": [1.3532960000000007, 4.059888, 9.473072], "label": "Zr4+", "properties": {}}, {"species": [{"element": "Zr", 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