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{
"id": "jvasp-107016",
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"structure_string": "Zn1 Cd1 Au2\n1.0\n3.200580 -0.000000 0.000000\n0.000000 3.200580 0.000000\n0.000000 0.000000 6.946480\nZn Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.722286 Au\n0.000000 0.000000 0.277714 Au\n",
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{
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"structure_string": "Zn1 Cd1 Se4 C4 N4\n1.0\n4.346614 0.000022 1.256530\n2.173404 8.041662 0.628335\n-0.056163 0.000050 8.354681\nZn Cd Se C N\n1 1 4 4 4\ndirect\n0.749936 0.500115 0.500029 Zn\n0.499990 0.000009 -0.000004 Cd\n0.301369 0.718476 0.026543 Se\n0.672189 0.026509 0.281415 Se\n0.980792 0.973349 0.718622 Se\n0.045829 0.281269 0.973370 Se\n0.455185 0.641277 0.203842 C\n0.341002 0.203845 0.358698 C\n0.903965 0.796167 0.641266 C\n0.299859 0.358715 0.796164 C\n0.554894 0.588981 0.318062 N\n0.127029 0.318074 0.411091 N\n0.856395 0.682026 0.588883 N\n0.461559 0.411185 0.682023 N\n",
"nsites": 14,
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{
"id": "jvasp-104667",
"created_at": "2022-09-04T14:37:09.909534Z",
"updated_at": "2022-09-04T14:37:09.909561Z",
"structure_string": "Zn1 Cd1 O2\n1.0\n3.414917 -0.000000 0.000000\n-1.707458 2.957406 0.000000\n-0.000000 -0.000000 5.695410\nZn Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.996210 Zn\n0.666667 0.333334 0.488628 Cd\n0.666667 0.333334 0.098663 O\n0.000000 0.000000 0.652500 O\n",
"nsites": 4,
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"density": 6.057276529144976,
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"volume": 57.51963157546527,
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"formula_full": "Zn1 Cd1 O2",
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},
{
"id": "jvasp-18651",
"created_at": "2022-09-04T14:36:33.070504Z",
"updated_at": "2022-09-04T14:36:33.070530Z",
"structure_string": "Zn1 Cd1 Pt2\n1.0\n2.948037 0.000000 0.000000\n0.000000 2.948037 -0.000000\n0.000000 -0.000000 7.388911\nZn Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.225368 Pt\n0.500000 0.500000 0.774632 Pt\n",
"nsites": 4,
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"volume": 64.21645029917188,
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"spacegroup": 123
},
{
"id": "jvasp-108043",
"created_at": "2022-09-04T14:36:02.912455Z",
"updated_at": "2022-09-04T14:36:02.912481Z",
"structure_string": "Zn1 Cd1 S2\n1.0\n3.991971 -0.000000 0.000000\n-1.995985 3.457149 0.000000\n-0.000000 -0.000000 6.635269\nZn Cd S\n1 1 2\ndirect\n0.000000 0.000000 0.999776 Zn\n0.333333 0.666667 0.507236 Cd\n0.333333 0.666667 0.891595 S\n0.000000 0.000000 0.353394 S\n",
"nsites": 4,
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"volume": 91.57227620932528,
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"formula_full": "Zn1 Cd1 S2",
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"spacegroup": 156
},
{
"id": "jvasp-39536",
"created_at": "2022-09-04T14:37:44.181715Z",
"updated_at": "2022-09-04T14:37:44.181741Z",
"structure_string": "Zn1 Cd1 S2\n1.0\n3.982490 0.000000 -0.000000\n0.000000 3.982490 0.000000\n0.000000 0.000000 5.736495\nZn Cd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.275301 S\n0.000000 0.500000 0.724698 S\n",
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{
"id": "jvasp-36659",
"created_at": "2022-09-04T14:37:31.211433Z",
"updated_at": "2022-09-04T14:37:31.211463Z",
"structure_string": "Zn1 Cd1 Se2\n1.0\n4.180253 0.000000 -0.000000\n0.000000 4.180253 0.000000\n-0.000000 0.000000 6.000862\nZn Cd Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.727059 Se\n0.000000 0.500000 0.272941 Se\n",
"nsites": 4,
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"formula_full": "Zn1 Cd1 Se2",
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{
"id": "jvasp-109126",
"created_at": "2022-09-04T14:38:12.813495Z",
"updated_at": "2022-09-04T14:38:12.813522Z",
"structure_string": "Zn1 Cd1 Se2\n1.0\n4.035668 0.008968 6.128523\n1.843280 3.590127 6.128523\n0.014648 0.008968 7.337928\nZn Cd Se\n1 1 2\ndirect\n0.499463 0.499464 0.499462 Zn\n0.001880 0.001880 0.001880 Cd\n0.130213 0.130213 0.130212 Se\n0.618444 0.618446 0.618443 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-101074",
"created_at": "2022-09-04T14:36:41.902561Z",
"updated_at": "2022-09-04T14:36:41.902580Z",
"structure_string": "Zn1 Cd1 Te2\n1.0\n4.328544 0.010095 6.552393\n1.976364 3.851023 6.552393\n0.016484 0.010095 7.853017\nZn Cd Te\n1 1 2\ndirect\n0.499402 0.499401 0.499405 Zn\n0.001599 0.001599 0.001599 Cd\n0.129512 0.129512 0.129513 Te\n0.619485 0.619483 0.619487 Te\n",
"nsites": 4,
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},
{
"id": "jvasp-12129",
"created_at": "2022-09-04T14:37:04.070642Z",
"updated_at": "2022-09-04T14:37:04.070677Z",
"structure_string": "Zn2 Cl4\n1.0\n3.700523 -0.000000 0.000000\n0.000000 3.700523 0.000000\n0.000000 0.000000 10.587052\nZn Cl\n2 4\ndirect\n0.749999 0.250000 0.250000 Zn\n0.250000 0.749999 0.750000 Zn\n0.250000 0.250000 0.379003 Cl\n0.749999 0.749999 0.620997 Cl\n0.749999 0.749999 0.120997 Cl\n0.250000 0.250000 0.879003 Cl\n",
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},
{
"id": "jvasp-3522",
"created_at": "2022-09-04T14:36:46.593416Z",
"updated_at": "2022-09-04T14:36:46.593440Z",
"structure_string": "Zn2 Cl4\n1.0\n4.820215 -0.000000 -2.229667\n-1.031368 4.708582 -2.229667\n0.047583 0.059133 6.428000\nZn Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.749999 0.499999 Zn\n0.378558 0.375000 0.249999 Cl\n0.124999 0.621440 0.749999 Cl\n0.624999 0.128558 0.749999 Cl\n0.871440 0.874999 0.249999 Cl\n",
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{
"id": "jvasp-12464",
"created_at": "2022-09-04T14:37:27.571168Z",
"updated_at": "2022-09-04T14:37:27.571192Z",
"structure_string": "Zn4 Cl8\n1.0\n6.119620 0.000000 0.000000\n0.000000 6.421573 0.000000\n0.000000 0.000000 7.541139\nZn Cl\n4 8\ndirect\n0.373779 0.585091 0.375459 Zn\n0.873779 0.414909 0.624541 Zn\n0.873779 0.914908 0.875459 Zn\n0.373779 0.085091 0.124541 Zn\n0.001155 0.579219 0.875052 Cl\n0.501155 0.420780 0.124948 Cl\n0.501155 0.920780 0.375052 Cl\n0.001155 0.079219 0.624948 Cl\n-0.002034 0.076881 0.127519 Cl\n0.497966 0.923118 0.872482 Cl\n0.497966 0.423118 0.627519 Cl\n-0.002034 0.576881 0.372481 Cl\n",
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"formula_full": "Zn4 Cl8",
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"spacegroup": 33
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