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{
"id": "jvasp-102677",
"created_at": "2022-09-04T14:36:52.124418Z",
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"structure_string": "Sr2 Zr1 Mo1 O6\n1.0\n4.062535 -0.000000 0.000000\n0.000000 4.062535 0.000000\n-0.000000 -0.000000 8.213250\nSr Zr Mo O\n2 1 1 6\ndirect\n0.499999 0.499999 0.254542 Sr\n0.499999 0.499999 0.745458 Sr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.254942 O\n0.000000 0.000000 0.745058 O\n-0.000000 0.499999 -0.000000 O\n-0.000000 0.499999 0.500000 O\n0.499999 0.000000 -0.000000 O\n0.499999 0.000000 0.500000 O\n",
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{
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"structure_string": "Pr2 Si2 Os4 C2\n1.0\n5.936073 -0.007205 0.000000\n-4.582142 3.773724 0.000000\n0.000000 0.000000 7.220575\nPr Si Os C\n2 2 4 2\ndirect\n0.549714 0.450284 0.250000 Pr\n0.450284 0.549714 0.750000 Pr\n0.270838 0.729160 0.250000 Si\n0.729160 0.270838 0.750000 Si\n0.833921 0.166077 0.059234 Os\n0.166077 0.833921 0.940766 Os\n0.166077 0.833921 0.559233 Os\n0.833921 0.166077 0.440766 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"updated_at": "2022-09-04T14:36:59.414308Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n6.688941 -0.000000 3.861862\n2.229647 6.306394 3.861862\n-0.000000 -0.000000 7.723724\nK Na As Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757363 0.242637 0.242636 Br\n0.242637 0.242637 0.757363 Br\n0.242637 0.757363 0.757363 Br\n0.242637 0.757363 0.242636 Br\n0.757363 0.242637 0.757363 Br\n0.757364 0.757363 0.242636 Br\n",
"nsites": 10,
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"formula_full": "K2 Na1 As1 Br6",
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{
"id": "jvasp-32680",
"created_at": "2022-09-04T14:37:05.145751Z",
"updated_at": "2022-09-04T14:37:05.145771Z",
"structure_string": "Al4 Bi4 S4 Cl16\n1.0\n9.560944 -0.033282 -3.033233\n-5.129625 8.068440 -3.033231\n0.018356 0.033281 10.030544\nAl Bi S Cl\n4 4 4 16\ndirect\n0.976332 0.709229 0.124804 Al\n0.290771 0.415576 0.267104 Al\n0.584424 0.851528 0.875196 Al\n0.148472 0.023668 0.732896 Al\n0.932576 0.213301 0.406662 Bi\n0.474086 0.067424 0.280723 Bi\n0.806636 0.525914 0.593338 Bi\n0.786699 0.193363 0.719277 Bi\n0.566484 0.263615 0.585759 S\n0.677855 0.980726 0.414241 S\n0.019274 0.433515 0.697129 S\n0.736384 0.322145 0.302871 S\n0.589622 0.634055 0.777425 Cl\n0.085625 0.775398 0.582447 Cl\n0.187803 0.410378 0.044432 Cl\n0.365945 0.143371 0.955567 Cl\n0.192952 0.503179 0.417553 Cl\n0.496821 0.914375 0.689773 Cl\n0.920841 0.969098 0.744378 Cl\n0.224601 0.807048 0.310227 Cl\n0.224721 0.176464 0.255622 Cl\n0.196188 0.179780 0.621757 Cl\n0.558022 0.574432 0.378242 Cl\n0.030902 0.775279 0.951743 Cl\n0.820219 0.441977 0.016408 Cl\n0.425568 0.803812 0.983592 Cl\n0.823536 0.079159 0.048257 Cl\n0.856629 0.812197 0.222574 Cl\n",
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{
"id": "jvasp-104001",
"created_at": "2022-09-04T14:36:52.150381Z",
"updated_at": "2022-09-04T14:36:52.150399Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.736221 0.019561 0.942737\n1.888046 5.348108 2.217512\n0.256653 -0.040552 6.765463\nSn H C F\n2 8 4 4\ndirect\n0.601989 0.546911 0.517667 Sn\n0.835081 0.018134 0.018330 Sn\n0.043858 0.267236 0.158606 H\n0.393164 0.297876 0.377354 H\n0.729920 0.095575 0.496895 H\n0.707094 0.469500 0.039068 H\n0.486335 0.880887 0.721830 H\n0.222660 0.582527 0.991710 H\n0.950739 0.684184 0.814143 H\n0.214415 0.982545 0.544258 H\n0.630740 0.271804 0.375973 C\n0.806291 0.293283 0.159991 C\n0.326809 0.825622 0.674899 C\n0.110262 0.739451 0.861071 C\n0.482418 0.860694 0.180153 F\n0.954604 0.704387 0.355769 F\n0.959937 0.332110 0.704281 F\n0.477196 0.233000 0.831657 F\n",
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{
"id": "jvasp-102792",
"created_at": "2022-09-04T14:36:52.154161Z",
"updated_at": "2022-09-04T14:36:52.154188Z",
"structure_string": "Cd2 In1 Cu1 Se4\n1.0\n7.320770 0.009851 3.669840\n6.080558 4.076834 3.669840\n0.006053 0.001846 7.348499\nCd In Cu Se\n2 1 1 4\ndirect\n0.497290 0.497289 0.184729 Cd\n0.996620 0.996618 0.654108 Cd\n0.750905 0.750905 0.596223 In\n0.252119 0.252119 0.066009 Cu\n0.076506 0.076507 0.252138 Se\n0.562077 0.562077 0.773996 Se\n0.806805 0.806805 0.882338 Se\n0.305041 0.305041 0.340460 Se\n",
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{
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"created_at": "2022-09-04T14:36:45.258648Z",
"updated_at": "2022-09-04T14:36:45.258674Z",
"structure_string": "K6 Na2 Fe2 Cl12\n1.0\n8.253265 0.002951 -0.327209\n-0.340557 8.246237 -0.327209\n0.002830 0.002951 8.259749\nK Na Fe Cl\n6 2 2 12\ndirect\n0.371179 0.750000 0.128821 K\n0.128821 0.371179 0.750000 K\n0.750000 0.128821 0.371179 K\n0.628821 0.250000 0.871179 K\n0.871179 0.628821 0.250000 K\n0.250000 0.871179 0.628821 K\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.210514 0.544712 0.419905 Cl\n0.955289 0.289486 0.080094 Cl\n0.080094 0.955289 0.289486 Cl\n0.289486 0.080094 0.955288 Cl\n0.789486 0.455288 0.580095 Cl\n0.580095 0.789486 0.455288 Cl\n0.455288 0.580095 0.789486 Cl\n0.044712 0.710514 0.919906 Cl\n0.919906 0.044712 0.710514 Cl\n0.710514 0.919906 0.044712 Cl\n0.419906 0.210514 0.544712 Cl\n0.544712 0.419906 0.210514 Cl\n",
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{
"id": "jvasp-11380",
"created_at": "2022-09-04T14:37:00.755357Z",
"updated_at": "2022-09-04T14:37:00.755374Z",
"structure_string": "K4 V2 Cu2 Se8\n1.0\n5.483468 0.000000 1.315771\n2.741734 6.604754 0.657885\n0.023759 0.000000 11.985033\nK V Cu Se\n4 2 2 8\ndirect\n0.944385 0.750000 0.111230 K\n0.305615 0.750000 0.388769 K\n0.055615 0.250000 0.888769 K\n0.694385 0.250000 0.611230 K\n0.125000 0.750000 0.750000 V\n0.875000 0.250000 0.250000 V\n0.625000 0.750000 0.749999 Cu\n0.375000 0.250000 0.250000 Cu\n0.267015 0.045297 0.134617 Se\n0.946930 0.454703 0.365382 Se\n0.687689 0.045297 0.365382 Se\n0.598368 0.454703 0.134617 Se\n0.732985 0.954703 0.865382 Se\n0.053071 0.545296 0.634617 Se\n0.312312 0.954703 0.634617 Se\n0.401633 0.545296 0.865382 Se\n",
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{
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"created_at": "2022-09-04T14:37:05.467889Z",
"updated_at": "2022-09-04T14:37:05.467924Z",
"structure_string": "Hf1 Ti1 Pb2 O6\n1.0\n4.941995 -0.048847 -2.978575\n-1.600906 4.675767 -2.978575\n0.035273 0.048847 5.770093\nHf Ti Pb O\n1 1 2 6\ndirect\n0.273976 0.273977 0.000000 Hf\n0.774455 0.774456 0.000001 Ti\n0.001160 0.501161 0.500000 Pb\n0.501160 0.001160 0.500000 Pb\n0.558227 0.558229 0.511973 O\n0.046257 0.046257 0.488027 O\n0.558228 0.046257 0.000000 O\n0.046257 0.558229 0.000000 O\n0.548874 0.548875 0.000000 O\n0.035399 0.035400 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:00.734174Z",
"updated_at": "2022-09-04T14:37:00.734202Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.749404 -4.762108 0.000000\n2.749404 4.762108 -0.000000\n0.000000 -0.000000 11.437591\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.500000 -0.000001 0.500000 Fe\n0.499999 0.499999 0.166667 Fe\n-0.000001 0.500000 0.833333 Fe\n0.500000 -0.000001 0.000000 Si\n0.499999 0.499999 0.666667 Si\n-0.000001 0.500000 0.333333 Si\n0.393522 0.221544 0.582954 O\n0.393523 0.171978 0.083713 O\n0.778455 0.606476 0.750379 O\n0.828020 0.606476 0.249621 O\n0.171978 0.393523 0.249621 O\n0.221543 0.828021 0.916287 O\n0.606476 0.828020 0.083713 O\n0.606476 0.778455 0.582954 O\n0.778455 0.171978 0.916287 O\n0.171978 0.778455 0.417046 O\n0.221544 0.393522 0.750379 O\n0.828021 0.221543 0.417046 O\n",
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{
"id": "jvasp-101876",
"created_at": "2022-09-04T14:36:52.187469Z",
"updated_at": "2022-09-04T14:36:52.187496Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n5.490855 -0.114035 2.909346\n2.310745 5.221184 1.871733\n0.006501 -0.085758 6.008245\nSn H C O\n1 6 4 4\ndirect\n0.469729 0.222698 0.886596 Sn\n0.965582 0.539565 0.949715 H\n0.965692 0.285363 0.202638 H\n0.035347 0.542129 0.207244 H\n-0.013155 0.966942 0.628467 H\n0.935114 0.270830 0.682124 H\n0.935575 0.014635 0.934511 H\n0.056813 0.421727 0.085816 C\n0.885246 0.103876 0.768068 C\n0.478623 0.027218 0.472576 C\n0.478727 0.808573 0.691137 C\n0.478591 -0.005847 0.277214 O\n0.475900 0.848734 0.890007 O\n0.475560 0.226192 0.512813 O\n0.478609 0.613228 0.658105 O\n",
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{
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"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
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}
]
}