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{
"id": "mp-755951",
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"structure_string": "V4 S4 O16\n1.0\n0.000004 0.000001 4.905378\n8.923805 0.000224 0.000007\n0.000177 6.852219 0.000002\nV S O\n4 4 16\ndirect\n0.999990 0.000049 0.500076 V\n0.500137 0.500183 0.500027 V\n0.999962 0.000048 0.999868 V\n0.499808 0.499743 0.999982 V\n0.487456 0.176743 0.249909 S\n0.987474 0.323268 0.750076 S\n0.012545 0.676760 0.249863 S\n0.512526 0.823252 0.750126 S\n0.778794 0.121566 0.249890 O\n0.278841 0.378411 0.750070 O\n0.721244 0.621539 0.249890 O\n0.221198 0.878435 0.750075 O\n0.980767 0.153524 0.750011 O\n0.480759 0.346504 0.250026 O\n0.519186 0.653495 0.750150 O\n0.019184 0.846532 0.249889 O\n0.353458 0.126070 0.070112 O\n0.353438 0.125994 0.429728 O\n0.853521 0.373898 0.929909 O\n0.853373 0.374011 0.570285 O\n0.146623 0.625988 0.070156 O\n0.146545 0.626003 0.429689 O\n0.646610 0.874003 0.570327 O\n0.646558 0.873980 0.929866 O\n",
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{
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"structure_string": "Ti4 Zn4 N8\n1.0\n5.248098 0.000000 0.000000\n0.000000 5.700140 0.000000\n0.000000 0.000000 6.581898\nTi Zn N\n4 4 8\ndirect\n0.996200 0.083025 0.374264 Ti\n0.496200 0.916975 0.625736 Ti\n0.496200 0.416975 0.874264 Ti\n0.996200 0.583025 0.125736 Ti\n0.997094 0.087260 0.876121 Zn\n0.497094 0.912740 0.123879 Zn\n0.497094 0.412740 0.376121 Zn\n0.997094 0.587260 0.623879 Zn\n0.365157 0.069881 0.385988 N\n0.865157 0.930119 0.614012 N\n0.865157 0.430119 0.885988 N\n0.365157 0.569881 0.114012 N\n0.391550 0.090338 0.864318 N\n0.891550 0.909662 0.135682 N\n0.891550 0.409662 0.364318 N\n0.391550 0.590338 0.635682 N\n",
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{
"id": "mp-1190971",
"created_at": "2022-09-04T14:42:41.339655Z",
"structure_string": "Pr2 P4 H4 C2 O12\n1.0\n-0.023350 0.000000 -5.393846\n7.895835 0.000000 2.356969\n-3.936242 -7.168842 1.518438\nPr P H C O\n2 4 4 2 12\ndirect\n0.271264 0.771264 0.542527 Pr\n0.728736 0.228736 0.457473 Pr\n0.240797 0.366548 0.222285 P\n0.018512 0.144263 0.777715 P\n0.759203 0.633452 0.777715 P\n0.981488 0.855737 0.222285 P\n0.840485 0.314567 0.000000 H\n0.159515 0.685433 0.000000 H\n0.832069 0.096965 0.000000 H\n0.167931 0.903035 0.000000 H\n0.961979 0.227783 0.000000 C\n0.038021 0.772217 0.000000 C\n0.900379 0.604989 0.626611 O\n0.273768 0.978378 0.373389 O\n0.099621 0.395011 0.373389 O\n0.726232 0.021622 0.626611 O\n0.386163 0.578671 0.260780 O\n0.125384 0.317892 0.739220 O\n0.613837 0.421329 0.739220 O\n0.874616 0.682108 0.260780 O\n0.568757 0.735649 0.766999 O\n0.801758 0.968650 0.233001 O\n0.431243 0.264351 0.233001 O\n0.198242 0.031350 0.766999 O\n",
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{
"id": "mp-1105117",
"created_at": "2022-09-04T14:42:41.374289Z",
"structure_string": "Ni6 Sb8 O12 F12\n1.0\n-0.000004 -8.203975 -0.000010\n0.000003 -0.000010 -8.203995\n8.203982 0.000004 -0.000003\nNi Sb O F\n6 8 12 12\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000001 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.161922 0.161921 0.838078 Sb\n0.661919 0.661919 0.338081 Sb\n0.338081 0.338081 0.338081 Sb\n0.838079 0.838079 0.838079 Sb\n0.661919 0.338081 0.661919 Sb\n0.161921 0.838079 0.161921 Sb\n0.338081 0.661919 0.661919 Sb\n0.838078 0.161922 0.161922 Sb\n0.000000 0.251972 0.000000 O\n0.500000 0.751945 0.500000 O\n0.748028 0.000000 0.000000 O\n0.248055 0.500000 0.500000 O\n0.000000 0.000000 0.251972 O\n0.500000 0.500000 0.751945 O\n0.000000 0.748028 0.000000 O\n0.500000 0.248055 0.500000 O\n0.251972 0.000000 0.000000 O\n0.751945 0.500000 0.500000 O\n0.000000 0.000000 0.748028 O\n0.500000 0.500000 0.248055 O\n0.000000 0.500000 0.750019 F\n0.500000 0.000000 0.249981 F\n0.000000 0.249981 0.500000 F\n0.500000 0.750019 0.000000 F\n0.249981 0.000000 0.500000 F\n0.750019 0.500000 0.000000 F\n0.500000 0.000000 0.750019 F\n0.000000 0.500000 0.249981 F\n0.249980 0.500000 0.000000 F\n0.750019 0.000000 0.500000 F\n0.500000 0.249981 0.000000 F\n0.000000 0.750019 0.500000 F\n",
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"density": 5.251364436454324,
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"volume": 552.1720429988621,
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"formula_full": "Ni6 Sb8 O12 F12",
"formula_reduced": "Ni3Sb4(OF)6",
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{
"id": "mp-556765",
"created_at": "2022-09-04T14:42:41.396656Z",
"structure_string": "Na2 Fe4 Mo6 O24\n1.0\n-6.973762 0.000000 0.000000\n-0.211311 -6.993796 0.000000\n2.765501 2.670789 11.283811\nNa Fe Mo O\n2 4 6 24\ndirect\n0.819734 0.397562 0.868046 Na\n0.180266 0.602438 0.131954 Na\n0.302237 0.297318 0.591104 Fe\n0.670744 0.307585 0.188619 Fe\n0.697763 0.702682 0.408896 Fe\n0.329256 0.692415 0.811381 Fe\n0.247469 0.754692 0.500026 Mo\n0.805012 0.798920 0.743333 Mo\n0.347314 0.250141 0.893002 Mo\n0.194988 0.201080 0.256667 Mo\n0.652686 0.749859 0.106998 Mo\n0.752531 0.245308 0.499974 Mo\n0.643435 0.631305 0.232427 O\n0.691923 0.005264 0.165368 O\n0.151011 0.345533 0.957153 O\n0.723948 0.399250 0.392904 O\n0.260807 0.263837 0.419706 O\n0.308077 0.994736 0.834632 O\n0.378872 0.296077 0.199342 O\n0.739193 0.736163 0.580294 O\n0.423213 0.704944 0.997815 O\n0.994776 0.738956 0.421492 O\n0.397524 0.676325 0.394747 O\n0.175462 0.945018 0.208003 O\n0.848989 0.654467 0.042847 O\n0.681229 0.997720 0.422564 O\n0.356565 0.368695 0.767573 O\n0.970343 0.321753 0.205736 O\n0.602476 0.323675 0.605253 O\n0.318771 0.002280 0.577436 O\n0.621128 0.703923 0.800658 O\n0.824538 0.054982 0.791997 O\n0.276052 0.600750 0.607096 O\n0.576787 0.295056 0.002185 O\n0.029657 0.678247 0.794264 O\n0.005224 0.261044 0.578508 O\n",
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"formula_full": "Na2 Fe4 Mo6 O24",
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{
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"created_at": "2022-09-04T14:42:41.401757Z",
"structure_string": "Cr3 Sb1 P4 O16\n1.0\n4.898715 -0.045293 0.000006\n-0.089463 10.219201 -0.000080\n0.000008 -0.000042 5.883497\nCr Sb P O\n3 1 4 16\ndirect\n0.447446 0.224096 0.750168 Cr\n0.551597 0.781789 0.249974 Cr\n0.953495 0.264324 0.249948 Cr\n0.040645 0.724851 0.750009 Sb\n0.126769 0.592796 0.249996 P\n0.392511 0.090713 0.250025 P\n0.591485 0.923179 0.749999 P\n0.893178 0.390485 0.749987 P\n0.146356 0.444834 0.249991 O\n0.298376 0.661796 0.050103 O\n0.298347 0.661792 0.449926 O\n0.201847 0.373933 0.749952 O\n0.281981 0.901988 0.749959 O\n0.244461 0.165925 0.047184 O\n0.244484 0.165926 0.452918 O\n0.322276 0.944192 0.249976 O\n0.669565 0.067680 0.749985 O\n0.727524 0.851587 0.540867 O\n0.727500 0.851590 0.959118 O\n0.701823 0.112611 0.249991 O\n0.832902 0.640188 0.249978 O\n0.746457 0.315691 0.544000 O\n0.746532 0.315719 0.955971 O\n0.812440 0.532315 0.749977 O\n",
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{
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"structure_string": "K8 Ga16 P16 O64 F2\n1.0\n13.491190 0.000000 0.000000\n0.000000 13.491190 0.000000\n0.000000 0.000000 8.831072\nK Ga P O F\n8 16 16 64 2\ndirect\n0.332762 0.745454 0.993623 K\n0.667238 0.254546 0.993623 K\n0.754546 0.832762 0.493623 K\n0.245454 0.167238 0.493623 K\n0.167238 0.754546 0.506377 K\n0.832762 0.245454 0.506377 K\n0.745454 0.667238 0.006377 K\n0.254546 0.332762 0.006377 K\n0.118705 0.567640 0.159644 Ga\n0.881295 0.432360 0.159644 Ga\n0.932360 0.618705 0.659644 Ga\n0.067640 0.381295 0.659644 Ga\n0.381295 0.932360 0.340356 Ga\n0.618705 0.067640 0.340356 Ga\n0.567640 0.881295 0.840356 Ga\n0.432360 0.118705 0.840356 Ga\n0.056991 0.135189 0.154567 Ga\n0.943009 0.864811 0.154567 Ga\n0.364811 0.556991 0.654567 Ga\n0.635189 0.443009 0.654567 Ga\n0.443009 0.364811 0.345433 Ga\n0.556991 0.635189 0.345433 Ga\n0.135189 0.943009 0.845433 Ga\n0.864811 0.056991 0.845433 Ga\n0.073380 0.355968 0.303309 P\n0.926620 0.644032 0.303309 P\n0.144032 0.573380 0.803309 P\n0.855968 0.426620 0.803309 P\n0.426620 0.144032 0.196691 P\n0.573380 0.855968 0.196691 P\n0.355968 0.926620 0.696691 P\n0.644032 0.073380 0.696691 P\n0.835173 0.068955 0.203297 P\n0.164827 0.931045 0.203297 P\n0.431045 0.335173 0.703297 P\n0.568955 0.664827 0.703297 P\n0.664827 0.431045 0.296703 P\n0.335173 0.568955 0.296703 P\n0.068955 0.164827 0.796703 P\n0.931045 0.835173 0.796703 P\n0.113170 0.426353 0.175958 O\n0.886830 0.573647 0.175958 O\n0.073647 0.613170 0.675958 O\n0.926353 0.386830 0.675958 O\n0.386830 0.073647 0.324042 O\n0.613170 0.926353 0.324042 O\n0.426353 0.886830 0.824042 O\n0.573647 0.113170 0.824042 O\n0.113595 0.393692 0.457940 O\n0.886405 0.606308 0.457940 O\n0.106308 0.613595 0.957940 O\n0.893692 0.386405 0.957940 O\n0.386405 0.106308 0.042060 O\n0.613595 0.893692 0.042060 O\n0.393692 0.886405 0.542060 O\n0.606308 0.113595 0.542060 O\n0.957221 0.359307 0.302863 O\n0.042779 0.640693 0.302863 O\n0.140693 0.457221 0.802863 O\n0.859307 0.542779 0.802863 O\n0.542779 0.140693 0.197137 O\n0.457221 0.859307 0.197137 O\n0.359307 0.042779 0.697137 O\n0.640693 0.957221 0.697137 O\n0.110380 0.249133 0.272582 O\n0.889620 0.750867 0.272582 O\n0.250867 0.610380 0.772582 O\n0.749133 0.389620 0.772582 O\n0.389620 0.250867 0.227418 O\n0.610380 0.749133 0.227418 O\n0.249133 0.889620 0.727418 O\n0.750867 0.110380 0.727418 O\n0.928935 0.129020 0.249216 O\n0.071065 0.870980 0.249216 O\n0.370980 0.428935 0.749216 O\n0.629020 0.571065 0.749216 O\n0.571065 0.370980 0.250784 O\n0.428935 0.629020 0.250784 O\n0.129020 0.071065 0.750784 O\n0.870980 0.928935 0.750784 O\n0.804490 0.090055 0.036293 O\n0.195510 0.909945 0.036293 O\n0.409945 0.304490 0.536293 O\n0.590055 0.695510 0.536293 O\n0.695510 0.409945 0.463707 O\n0.304490 0.590055 0.463707 O\n0.090055 0.195510 0.963707 O\n0.909945 0.804490 0.963707 O\n0.750435 0.110097 0.305940 O\n0.249565 0.889903 0.305940 O\n0.389903 0.250435 0.805940 O\n0.610097 0.749565 0.805940 O\n0.749565 0.389903 0.194060 O\n0.250435 0.610097 0.194060 O\n0.110097 0.249565 0.694060 O\n0.889903 0.750435 0.694060 O\n0.847979 0.956374 0.236368 O\n0.152021 0.043626 0.236368 O\n0.543626 0.347979 0.736368 O\n0.456374 0.652021 0.736368 O\n0.652021 0.543626 0.263632 O\n0.347979 0.456374 0.263632 O\n0.956374 0.152021 0.763632 O\n0.043626 0.847979 0.763632 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n",
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{
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{
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{
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{
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{
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"structure_string": "Ba6 H12 N12 O30\n1.0\n3.587855 -6.214346 0.000000\n3.587855 6.214346 0.000000\n0.000000 0.000000 18.225683\nBa H N O\n6 12 12 30\ndirect\n0.857033 0.431587 0.998008 Ba\n0.425446 0.857033 0.164674 Ba\n0.431587 0.574554 0.831341 Ba\n0.568413 0.425446 0.331341 Ba\n0.574554 0.142967 0.664674 Ba\n0.142967 0.568413 0.498008 Ba\n0.027029 0.170269 0.378499 H\n0.856760 0.027029 0.545165 H\n0.170269 0.143240 0.211832 H\n0.829731 0.856760 0.711832 H\n0.143240 0.972971 0.045165 H\n0.972971 0.829731 0.878499 H\n0.145877 0.103840 0.435269 H\n0.042037 0.145877 0.601936 H\n0.103840 0.957963 0.268603 H\n0.896160 0.042037 0.768603 H\n0.957963 0.854123 0.101936 H\n0.854123 0.896160 0.935269 H\n0.036782 0.246695 0.145303 N\n0.790087 0.036782 0.311969 N\n0.246695 0.209913 0.978636 N\n0.753305 0.790087 0.478636 N\n0.209913 0.963218 0.811969 N\n0.963218 0.753305 0.645303 N\n0.124860 0.570478 0.325063 N\n0.554382 0.124860 0.491729 N\n0.570478 0.445618 0.158396 N\n0.429522 0.554382 0.658396 N\n0.445618 0.875140 0.991729 N\n0.875140 0.429522 0.825063 N\n0.105312 0.437874 0.123324 O\n0.667438 0.105312 0.289990 O\n0.437874 0.332562 0.956657 O\n0.562126 0.667438 0.456657 O\n0.332562 0.894688 0.789990 O\n0.894688 0.562126 0.623324 O\n0.868273 0.105007 0.112894 O\n0.763266 0.868273 0.279560 O\n0.105007 0.236734 0.946227 O\n0.894993 0.763266 0.446227 O\n0.236734 0.131727 0.779560 O\n0.131727 0.894993 0.612894 O\n0.297003 0.596057 0.295537 O\n0.700946 0.297003 0.462204 O\n0.596057 0.299054 0.128871 O\n0.403943 0.700946 0.628871 O\n0.299054 0.702997 0.962204 O\n0.702997 0.403943 0.795537 O\n0.010875 0.617570 0.284778 O\n0.393305 0.010875 0.451444 O\n0.617570 0.606695 0.118111 O\n0.382430 0.393305 0.618111 O\n0.606695 0.989125 0.951444 O\n0.989125 0.382430 0.784778 O\n0.154547 0.231000 0.411727 O\n0.923547 0.154547 0.578394 O\n0.231000 0.076453 0.245060 O\n0.769000 0.923547 0.745060 O\n0.076453 0.845453 0.078394 O\n0.845453 0.769000 0.911727 O\n",
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]
}