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{
"id": "mp-769500",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.106422 0.000000 0.000000\n-1.476481 7.988268 0.000000\n-3.109670 -3.735917 9.121753\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.267274 0.226228 0.245611 Na\n0.975425 0.514880 0.245026 Na\n0.024575 0.485120 0.754974 Na\n0.732726 0.773772 0.754389 Na\n0.931015 0.180419 0.343549 Mn\n0.443618 0.693937 0.339329 Mn\n0.556382 0.306063 0.660671 Mn\n0.068985 0.819581 0.656451 Mn\n0.200695 0.948246 0.430054 P\n0.696677 0.448655 0.433009 P\n0.303323 0.551345 0.566991 P\n0.799305 0.051754 0.569946 P\n0.774669 0.031258 0.077600 C\n0.280798 0.524877 0.075600 C\n0.719202 0.475123 0.924400 C\n0.225331 0.968742 0.922400 C\n0.305528 0.045878 0.056453 O\n0.802198 0.560745 0.056532 O\n0.422320 0.668323 0.137115 O\n0.921178 0.174621 0.144273 O\n0.727947 0.982966 0.174811 O\n0.236007 0.482413 0.178636 O\n0.271383 0.827570 0.325470 O\n0.090264 0.033109 0.331166 O\n0.785895 0.342399 0.335946 O\n0.581925 0.525257 0.330354 O\n0.158204 0.404168 0.423467 O\n0.569649 0.321854 0.472777 O\n0.071696 0.820924 0.469164 O\n0.652304 0.908728 0.428741 O\n0.347696 0.091272 0.571259 O\n0.430351 0.678146 0.527223 O\n0.928304 0.179076 0.530836 O\n0.841796 0.595832 0.576533 O\n0.214105 0.657601 0.664054 O\n0.418075 0.474743 0.669646 O\n0.728617 0.172430 0.674530 O\n0.909736 0.966891 0.668834 O\n0.763993 0.517587 0.821364 O\n0.272053 0.017034 0.825189 O\n0.577680 0.331677 0.862885 O\n0.078822 0.825379 0.855727 O\n0.694472 0.954122 0.943547 O\n0.197802 0.439255 0.943468 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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},
{
"id": "mp-756880",
"created_at": "2022-09-04T14:39:18.010153Z",
"structure_string": "K2 Ce2 P2 C2 O14\n1.0\n7.092321 0.000000 0.000000\n0.000000 5.818369 0.000000\n0.000000 0.086244 10.193922\nK Ce P C O\n2 2 2 2 14\ndirect\n0.543098 0.750984 0.781193 K\n0.043098 0.249016 0.218807 K\n0.225037 0.218664 0.650258 Ce\n0.725037 0.781336 0.349742 Ce\n0.732778 0.281243 0.564641 P\n0.232778 0.718757 0.435359 P\n0.267599 0.274428 0.915888 C\n0.767599 0.725572 0.084112 C\n0.776849 0.694191 0.964630 O\n0.261578 0.069253 0.858256 O\n0.260927 0.446279 0.826541 O\n0.908980 0.230189 0.650228 O\n0.552409 0.217398 0.642588 O\n0.245600 0.863248 0.563530 O\n0.727296 0.541874 0.527217 O\n0.227296 0.458126 0.472783 O\n0.745600 0.136752 0.436470 O\n0.052409 0.782602 0.357412 O\n0.408980 0.769811 0.349772 O\n0.760927 0.553721 0.173459 O\n0.761578 0.930747 0.141744 O\n0.276849 0.305809 0.035370 O\n",
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"formula_full": "K2 Ce2 P2 C2 O14",
"formula_reduced": "KCePCO7",
"formula_anonymous": "ABCDE7",
"energy": -173.5748892,
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{
"id": "mp-772595",
"created_at": "2022-09-04T14:39:19.065438Z",
"structure_string": "Na2 Si2 Sb2 C2 O14\n1.0\n6.526539 0.000000 0.000000\n0.000000 5.351662 0.000000\n0.000000 0.434975 9.306164\nNa Si Sb C O\n2 2 2 2 14\ndirect\n0.525944 0.759886 0.777818 Na\n0.025944 0.240114 0.222182 Na\n0.743838 0.274989 0.565304 Si\n0.243838 0.725011 0.434696 Si\n0.237891 0.211841 0.657658 Sb\n0.737891 0.788159 0.342342 Sb\n0.255612 0.275659 0.923534 C\n0.755612 0.724341 0.076466 C\n0.751543 0.691997 0.947680 O\n0.252865 0.051845 0.862889 O\n0.260435 0.463196 0.819351 O\n0.938949 0.210494 0.669987 O\n0.544638 0.199927 0.664138 O\n0.256223 0.873804 0.584449 O\n0.734214 0.578737 0.521932 O\n0.234214 0.421263 0.478068 O\n0.756223 0.126196 0.415551 O\n0.044638 0.800073 0.335862 O\n0.438949 0.789506 0.330013 O\n0.760435 0.536804 0.180649 O\n0.752865 0.948155 0.137111 O\n0.251543 0.308003 0.052320 O\n",
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"formula_full": "Na2 Si2 Sb2 C2 O14",
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},
{
"id": "mp-1224537",
"created_at": "2022-09-04T14:39:17.502665Z",
"structure_string": "Gd2 Ti2 Cd2 Sb2 O14\n1.0\n-3.609979 3.739043 5.150503\n3.609979 -3.739043 5.150503\n3.609979 3.739043 -5.150503\nGd Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.926852 0.176852 0.750000 O\n0.328395 0.578395 0.750000 O\n0.934775 0.581705 0.760937 O\n0.320768 0.173838 0.739063 O\n0.934775 0.173838 0.353070 O\n0.320768 0.581705 0.146930 O\n0.073148 0.823148 0.250000 O\n0.671605 0.421605 0.250000 O\n0.065225 0.418295 0.239063 O\n0.679232 0.826162 0.260937 O\n0.065225 0.826162 0.646930 O\n0.679232 0.418295 0.853070 O\n0.625545 0.875545 0.750000 O\n0.374455 0.124455 0.250000 O\n",
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{
"id": "mp-753649",
"created_at": "2022-09-04T14:41:35.212707Z",
"structure_string": "Li2 Zr2 P2 C2 O14\n1.0\n6.630930 0.000000 0.000000\n0.000000 5.682707 0.000000\n0.000000 0.250606 8.895712\nLi Zr P C O\n2 2 2 2 14\ndirect\n0.432383 0.745871 0.843559 Li\n0.932383 0.254129 0.156441 Li\n0.254638 0.203927 0.658376 Zr\n0.754638 0.796073 0.341624 Zr\n0.758233 0.278641 0.551826 P\n0.258233 0.721359 0.448174 P\n0.256052 0.261646 0.947550 C\n0.756052 0.738354 0.052450 C\n0.706657 0.705985 0.921181 O\n0.273607 0.051430 0.884598 O\n0.285347 0.436305 0.843658 O\n0.942348 0.213792 0.650327 O\n0.568039 0.197793 0.636249 O\n0.273548 0.849142 0.600792 O\n0.751296 0.546140 0.516843 O\n0.251296 0.453860 0.483157 O\n0.773548 0.150858 0.399208 O\n0.068039 0.802207 0.363751 O\n0.442348 0.786208 0.349673 O\n0.785347 0.563695 0.156342 O\n0.773607 0.948570 0.115402 O\n0.206657 0.294015 0.078819 O\n",
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{
"id": "mp-769564",
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"structure_string": "Na4 V4 P4 C4 O28\n1.0\n0.357850 5.461851 0.000000\n0.000000 0.000000 6.433468\n17.332563 -0.568031 -0.000002\nNa V P C O\n4 4 4 4 28\ndirect\n0.777694 0.250001 0.038937 Na\n0.777920 0.250002 0.538923 Na\n0.222327 0.749999 0.461056 Na\n0.222065 0.749997 0.961080 Na\n0.773131 0.750001 0.669156 V\n0.226962 0.249998 0.830843 V\n0.773067 0.750001 0.169187 V\n0.226895 0.249999 0.330786 V\n0.739191 0.250000 0.217124 P\n0.739268 0.250000 0.717133 P\n0.260790 0.750000 0.282859 P\n0.260758 0.750000 0.782899 P\n0.697574 0.750001 0.030619 C\n0.697816 0.750001 0.530479 C\n0.302425 0.249998 0.469360 C\n0.302220 0.250000 0.969531 C\n0.344167 0.249999 0.039381 O\n0.344557 0.249998 0.539268 O\n0.655842 0.750001 0.460631 O\n0.655432 0.750002 0.960715 O\n0.919906 0.750001 0.059817 O\n0.920088 0.750002 0.559742 O\n0.080087 0.250000 0.440165 O\n0.079954 0.250003 0.940258 O\n0.527569 0.749999 0.086991 O\n0.527719 0.750001 0.586863 O\n0.472428 0.249998 0.412993 O\n0.472339 0.249999 0.913151 O\n0.073248 0.750001 0.217793 O\n0.072841 0.750002 0.717901 O\n0.926723 0.249999 0.282193 O\n0.927100 0.249997 0.782138 O\n0.479211 0.250000 0.254794 O\n0.479531 0.249999 0.754925 O\n0.520767 0.750000 0.245186 O\n0.520434 0.750002 0.745091 O\n0.775539 0.059690 0.163987 O\n0.775449 0.059703 0.663983 O\n0.775541 0.440311 0.163987 O\n0.775452 0.440299 0.663984 O\n0.224460 0.559689 0.335997 O\n0.224527 0.559694 0.836047 O\n0.224460 0.940310 0.335997 O\n0.224528 0.940303 0.836049 O\n",
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{
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"structure_string": "Gd2 Y2 Sc2 Sb2 O14\n1.0\n-3.692859 3.731845 5.220400\n3.692859 -3.731845 5.220400\n3.692859 3.731845 -5.220400\nGd Y Sc Sb O\n2 2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.881726 0.631726 0.250000 O\n0.118274 0.368274 0.750000 O\n0.823659 0.073659 0.750000 O\n0.402277 0.652277 0.750000 O\n0.844326 0.674213 0.770471 O\n0.403742 0.073855 0.729529 O\n0.844326 0.073855 0.170112 O\n0.403742 0.674213 0.329888 O\n0.176341 0.926341 0.250000 O\n0.597723 0.347723 0.250000 O\n0.155674 0.325787 0.229529 O\n0.596258 0.926145 0.270471 O\n0.155674 0.926145 0.829888 O\n0.596258 0.325787 0.670112 O\n",
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{
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"structure_string": "Na2 Pr2 P2 C2 O14\n1.0\n7.208512 0.000000 0.000000\n0.000000 5.363737 0.000000\n0.000000 0.130243 9.795476\nNa Pr P C O\n2 2 2 2 14\ndirect\n0.533291 0.769569 0.771464 Na\n0.033291 0.230431 0.228536 Na\n0.222226 0.219736 0.628246 Pr\n0.722226 0.780264 0.371754 Pr\n0.730071 0.283157 0.583818 P\n0.230071 0.716843 0.416182 P\n0.276448 0.276846 0.930542 C\n0.776448 0.723154 0.069458 C\n0.742521 0.691007 0.944136 O\n0.284760 0.054338 0.882123 O\n0.297146 0.461149 0.845678 O\n0.906887 0.212467 0.663254 O\n0.556327 0.156971 0.645880 O\n0.250826 0.794935 0.569920 O\n0.701647 0.571700 0.580040 O\n0.201647 0.428300 0.419960 O\n0.750826 0.205065 0.430080 O\n0.056327 0.843029 0.354120 O\n0.406887 0.787533 0.336746 O\n0.797146 0.538851 0.154322 O\n0.784760 0.945662 0.117877 O\n0.242521 0.308993 0.055864 O\n",
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{
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