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{
"id": "jvasp-45308",
"created_at": "2022-09-04T14:38:28.962715Z",
"updated_at": "2022-09-04T14:38:28.962744Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n",
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{
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"structure_string": "Sr4 Cr4 O16\n1.0\n0.000000 6.775595 0.014123\n7.425831 0.000000 0.000000\n0.000000 -5.159387 -6.935352\nSr Cr O\n4 4 16\ndirect\n0.331708 0.342259 0.228706 Sr\n0.668291 0.842259 0.271294 Sr\n0.668291 0.657741 0.771294 Sr\n0.331708 0.157741 0.728706 Sr\n0.814478 0.334914 0.198289 Cr\n0.185521 0.834914 0.301712 Cr\n0.185521 0.665086 0.801711 Cr\n0.814477 0.165086 0.698289 Cr\n0.377912 0.659903 0.379975 O\n0.622087 0.159903 0.120025 O\n0.831425 0.101257 0.523211 O\n0.168574 0.601257 0.976789 O\n0.168574 0.898742 0.476789 O\n0.831425 0.398743 0.023212 O\n0.700917 0.003819 0.757997 O\n0.098710 0.219880 0.881360 O\n0.299081 0.996181 0.242003 O\n0.700918 0.496181 0.257997 O\n0.377912 0.840097 0.879975 O\n0.901289 0.719880 0.618640 O\n0.901289 0.780120 0.118640 O\n0.098710 0.280120 0.381360 O\n0.299081 0.503819 0.742003 O\n0.622087 0.340097 0.620025 O\n",
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{
"id": "jvasp-56051",
"created_at": "2022-09-04T14:37:19.460741Z",
"updated_at": "2022-09-04T14:37:19.460758Z",
"structure_string": "Ca12 N8\n1.0\n6.184494 -0.000000 0.000000\n-0.000000 6.327042 0.000000\n0.000000 0.000000 8.904084\nCa N\n12 8\ndirect\n0.606514 0.105277 0.847221 Ca\n0.893485 0.605277 0.652778 Ca\n0.106515 0.394723 0.347222 Ca\n0.393485 0.894723 0.152778 Ca\n0.044789 0.250000 0.000000 Ca\n0.393485 0.605277 0.847221 Ca\n0.606514 0.394723 0.152778 Ca\n0.893485 0.894723 0.347222 Ca\n0.106515 0.105277 0.652778 Ca\n0.455211 0.750000 0.500000 Ca\n0.955211 0.750000 0.000000 Ca\n0.544788 0.250000 0.500000 Ca\n0.247283 0.968392 0.887585 N\n0.752716 0.031607 0.112414 N\n0.747283 0.531607 0.387585 N\n0.252717 0.031607 0.387585 N\n0.747283 0.968392 0.612414 N\n0.752716 0.468393 0.887585 N\n0.252717 0.468393 0.612414 N\n0.247283 0.531607 0.112414 N\n",
"nsites": 20,
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{
"id": "jvasp-99163",
"created_at": "2022-09-04T14:36:31.634889Z",
"updated_at": "2022-09-04T14:36:31.634928Z",
"structure_string": "Li12 Br6 N2\n1.0\n6.180680 0.000000 -0.033418\n0.000000 6.281096 0.000000\n-0.020883 0.000000 8.975145\nLi Br N\n12 6 2\ndirect\n0.398977 0.430292 0.695829 Li\n0.337170 0.264225 0.422454 Li\n0.837170 0.235775 0.922454 Li\n0.601024 0.569709 0.304171 Li\n0.662831 0.735775 0.577546 Li\n0.101024 0.930292 0.804172 Li\n0.898976 0.069709 0.195828 Li\n0.750484 0.330121 0.535649 Li\n0.249517 0.669879 0.464351 Li\n0.250483 0.169879 0.035649 Li\n0.749517 0.830121 0.964351 Li\n0.162831 0.764226 0.077546 Li\n0.007113 0.480590 0.256667 Br\n0.992888 0.519410 0.743333 Br\n0.507113 0.019410 0.756667 Br\n0.492887 0.980591 0.243333 Br\n0.500000 0.500000 -0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:38:41.604521Z",
"updated_at": "2022-09-04T14:38:41.604547Z",
"structure_string": "Sr6 Mn6 O18\n1.0\n5.462476 0.000000 -0.000000\n-2.731238 4.730642 -0.000000\n0.000000 -0.000000 13.483434\nSr Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.409800 Sr\n0.666667 0.333333 0.590200 Sr\n0.666667 0.333333 0.909800 Sr\n0.333333 0.666667 0.090200 Sr\n0.333333 0.666667 0.843942 Mn\n0.666667 0.333333 0.156058 Mn\n0.666667 0.333333 0.343942 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.656058 Mn\n0.164324 0.835676 0.581879 O\n0.835677 0.164324 0.081879 O\n0.671353 0.835676 0.918121 O\n0.164324 0.328647 0.918121 O\n0.164324 0.835676 0.918121 O\n0.671353 0.835676 0.581879 O\n0.164324 0.328647 0.581879 O\n0.328647 0.164324 0.418121 O\n0.972457 0.486228 0.250000 O\n0.835677 0.164324 0.418121 O\n0.027543 0.513772 0.750000 O\n0.486228 0.972456 0.750000 O\n0.486228 0.513772 0.750000 O\n0.835676 0.671353 0.081879 O\n0.513773 0.027543 0.250000 O\n0.513772 0.486228 0.250000 O\n0.835676 0.671353 0.418121 O\n0.328647 0.164324 0.081879 O\n",
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{
"id": "jvasp-56724",
"created_at": "2022-09-04T14:38:33.363096Z",
"updated_at": "2022-09-04T14:38:33.363109Z",
"structure_string": "Ca10 W2 N8 O4\n1.0\n0.000000 6.106241 0.020448\n6.745988 0.000000 0.000000\n0.000000 -0.149402 -8.459461\nCa W N O\n10 2 8 4\ndirect\n0.267456 0.490560 0.665018 Ca\n0.497555 0.750000 0.982995 Ca\n0.732545 0.509440 0.334982 Ca\n0.502445 0.250000 0.017005 Ca\n0.000000 0.500000 0.000000 Ca\n0.806179 0.750000 0.671145 Ca\n0.000000 0.000000 0.000000 Ca\n0.267456 0.009440 0.665018 Ca\n0.732545 0.990560 0.334982 Ca\n0.193821 0.250000 0.328854 Ca\n0.718003 0.250000 0.677121 W\n0.281997 0.750000 0.322879 W\n0.335177 0.975322 0.190373 N\n0.028808 0.750000 0.446893 N\n0.664823 0.475322 0.809627 N\n0.971192 0.250000 0.553107 N\n0.335177 0.524678 0.190373 N\n0.664823 0.024678 0.809627 N\n0.494118 0.250000 0.523170 N\n0.505882 0.750000 0.476830 N\n0.807958 0.750000 0.128723 O\n0.151858 0.750000 0.829241 O\n0.192042 0.250000 0.871277 O\n0.848142 0.250000 0.170759 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Ca10 W2 N8 O4",
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{
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"created_at": "2022-09-04T14:37:19.789225Z",
"updated_at": "2022-09-04T14:37:19.789251Z",
"structure_string": "Sr4 Pr4 O12\n1.0\n6.180174 0.000000 0.000000\n0.000000 6.401304 0.000000\n0.000000 0.000000 8.809542\nSr Pr O\n4 4 12\ndirect\n0.021950 0.945510 0.750000 Sr\n0.478050 0.445511 0.750000 Sr\n0.521950 0.554489 0.250000 Sr\n0.978049 0.054489 0.250000 Sr\n-0.000000 0.500000 0.500000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.500000 -0.000000 0.000000 Pr\n0.701698 0.296200 0.073924 O\n0.636523 0.069675 0.750000 O\n0.363476 0.930324 0.250000 O\n0.201698 0.203800 0.573924 O\n0.136523 0.430325 0.250000 O\n0.298302 0.703799 0.573924 O\n0.798301 0.796200 0.426076 O\n0.298302 0.703799 0.926076 O\n0.701698 0.296200 0.426076 O\n0.798301 0.796200 0.073924 O\n0.863476 0.569675 0.750000 O\n0.201698 0.203800 0.926076 O\n",
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{
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"created_at": "2022-09-04T14:37:09.844294Z",
"updated_at": "2022-09-04T14:37:09.844325Z",
"structure_string": "Li4 Ti4 S10\n1.0\n5.204425 3.093306 -0.440580\n-5.204425 3.093306 0.440580\n-4.072846 0.000000 11.171402\nLi Ti S\n4 4 10\ndirect\n0.172933 0.558449 0.675978 Li\n0.441553 0.827068 0.175979 Li\n0.558448 0.172933 0.824021 Li\n0.827068 0.441553 0.324021 Li\n0.750416 0.924378 0.558539 Ti\n0.924377 0.750416 0.941461 Ti\n0.075624 0.249585 0.058539 Ti\n0.249585 0.075624 0.441461 Ti\n0.984505 0.811850 0.139710 S\n0.362891 0.362891 0.250000 S\n0.811850 0.984505 0.360290 S\n0.188151 0.015497 0.639710 S\n0.288924 0.715303 0.959355 S\n0.015496 0.188151 0.860290 S\n0.284698 0.711077 0.459355 S\n0.715303 0.288925 0.540645 S\n0.637110 0.637111 0.750000 S\n0.711076 0.284698 0.040645 S\n",
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{
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"created_at": "2022-09-04T14:37:53.955801Z",
"updated_at": "2022-09-04T14:37:53.955811Z",
"structure_string": "Al4 Au16\n1.0\n7.037880 0.000000 -0.000000\n-0.000000 7.037880 0.000000\n0.000000 -0.000000 7.037880\nAl Au\n4 16\ndirect\n0.064305 0.064305 0.064305 Al\n0.435695 0.935695 0.564305 Al\n0.564305 0.435695 0.935695 Al\n0.935695 0.564305 0.435695 Al\n0.283469 0.551638 0.611253 Au\n0.448362 0.111253 0.216531 Au\n0.611253 0.283469 0.551638 Au\n0.111253 0.216531 0.448362 Au\n0.051638 0.888747 0.716532 Au\n0.888747 0.716532 0.051638 Au\n0.551638 0.611253 0.283469 Au\n0.388747 0.783469 0.948362 Au\n0.216531 0.448362 0.111253 Au\n0.783469 0.948362 0.388747 Au\n0.317401 0.182599 0.817401 Au\n0.182599 0.817401 0.317401 Au\n0.817401 0.317401 0.182599 Au\n0.682599 0.682599 0.682599 Au\n0.948362 0.388747 0.783469 Au\n0.716532 0.051638 0.888747 Au\n",
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{
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"created_at": "2022-09-04T14:38:14.155507Z",
"updated_at": "2022-09-04T14:38:14.155536Z",
"structure_string": "Er4 Cd2 S8\n1.0\n6.841453 -0.000000 3.949914\n2.280485 6.450184 3.949914\n0.000000 0.000000 7.899830\nEr Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Er\n0.500000 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 -0.000000 0.500000 Er\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.742236 0.742236 0.742236 S\n0.257763 0.257764 0.726709 S\n0.257763 0.726708 0.257764 S\n0.726708 0.257764 0.257764 S\n0.742236 0.273291 0.742236 S\n0.273291 0.742236 0.742236 S\n0.257763 0.257764 0.257764 S\n0.742236 0.742236 0.273291 S\n",
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{
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"created_at": "2022-09-04T14:37:35.619387Z",
"updated_at": "2022-09-04T14:37:35.619427Z",
"structure_string": "Sr4 Pr4 O12\n1.0\n6.190738 0.000000 0.000000\n-0.000000 6.395359 0.000000\n0.000000 0.000000 8.805051\nSr Pr O\n4 4 12\ndirect\n0.976603 0.053221 0.250000 Sr\n0.476603 0.446780 0.750000 Sr\n0.523397 0.553221 0.250000 Sr\n0.023397 0.946780 0.750000 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.637347 0.070538 0.750000 O\n0.137346 0.429462 0.250000 O\n0.702507 0.294972 0.073957 O\n0.202507 0.205028 0.926043 O\n0.797494 0.794972 0.426043 O\n0.202507 0.205028 0.573957 O\n0.297494 0.705028 0.926043 O\n0.797494 0.794972 0.073957 O\n0.362654 0.929462 0.250000 O\n0.702507 0.294972 0.426043 O\n0.297494 0.705028 0.573957 O\n0.862654 0.570538 0.750000 O\n",
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},
{
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"created_at": "2022-09-04T14:38:34.168060Z",
"updated_at": "2022-09-04T14:38:34.168085Z",
"structure_string": "Mg2 Sc4 Se8\n1.0\n-5.586040 -5.586040 -0.000000\n-5.586040 0.000000 -5.586040\n0.000000 -5.586040 -5.586040\nMg Sc Se\n2 4 8\ndirect\n0.375000 0.375000 0.375000 Mg\n0.625000 0.625000 0.625000 Mg\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.242495 0.242495 0.772513 Se\n0.242495 0.772513 0.242495 Se\n0.772513 0.242495 0.242495 Se\n0.242495 0.242495 0.242495 Se\n0.757505 0.757505 0.227487 Se\n0.757505 0.227487 0.757505 Se\n0.227487 0.757505 0.757505 Se\n0.757505 0.757505 0.757505 Se\n",
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}
]
}