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{
"id": "mp-1209345",
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"structure_string": "Pr10 Ag2 Sn6\n1.0\n4.825982 -8.358847 0.000000\n4.825982 8.358847 0.000000\n0.000000 0.000000 6.840408\nPr Ag Sn\n10 2 6\ndirect\n0.273927 0.000000 0.750000 Pr\n0.726073 0.000000 0.250000 Pr\n0.000000 0.273927 0.750000 Pr\n0.000000 0.726073 0.250000 Pr\n0.726073 0.726073 0.750000 Pr\n0.273927 0.273927 0.250000 Pr\n0.333333 0.666667 0.500000 Pr\n0.666667 0.333333 0.500000 Pr\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.000000 Pr\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.620890 0.000000 0.750000 Sn\n0.379110 0.000000 0.250000 Sn\n0.000000 0.620890 0.750000 Sn\n0.000000 0.379110 0.250000 Sn\n0.379110 0.379110 0.750000 Sn\n0.620890 0.620890 0.250000 Sn\n",
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{
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{
"id": "mp-1111118",
"created_at": "2022-09-04T14:46:08.426198Z",
"structure_string": "Na2 In1 Cu1 Cl6\n1.0\n0.000000 5.027654 5.027654\n5.027654 0.000000 5.027654\n5.027654 5.027654 0.000000\nNa In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.746126 0.253874 0.253874 Cl\n0.253874 0.253874 0.746126 Cl\n0.253874 0.746126 0.746126 Cl\n0.253874 0.746126 0.253874 Cl\n0.746126 0.253874 0.746126 Cl\n0.746126 0.746126 0.253874 Cl\n",
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{
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"structure_string": "Li3 Fe3 Si6 O18\n1.0\n7.062201 0.000000 0.000000\n1.633863 7.236647 0.000000\n3.445583 0.455354 6.562585\nLi Fe Si O\n3 3 6 18\ndirect\n0.611894 0.774740 0.755182 Li\n0.500000 0.500000 0.500000 Li\n0.388106 0.225260 0.244818 Li\n0.058299 0.785288 0.739797 Fe\n0.000000 0.500000 0.500000 Fe\n0.941701 0.214712 0.260203 Fe\n0.754728 0.831058 0.285513 Si\n0.315976 0.836758 0.248455 Si\n0.799774 0.390792 0.973930 Si\n0.200226 0.609208 0.026070 Si\n0.684024 0.163242 0.751545 Si\n0.245272 0.168942 0.714487 Si\n0.793030 0.949600 0.764813 O\n0.241022 0.961083 0.681766 O\n0.548551 0.833651 0.241562 O\n0.970360 0.759830 0.069276 O\n0.752429 0.681754 0.473648 O\n0.854539 0.562487 0.798045 O\n0.172890 0.710112 0.451866 O\n0.283012 0.578485 0.790045 O\n0.365260 0.724450 0.048811 O\n0.634740 0.275550 0.951189 O\n0.716988 0.421515 0.209955 O\n0.827110 0.289888 0.548134 O\n0.145461 0.437513 0.201955 O\n0.247571 0.318246 0.526352 O\n0.029640 0.240170 0.930724 O\n0.451449 0.166349 0.758438 O\n0.758978 0.038917 0.318234 O\n0.206970 0.050400 0.235187 O\n",
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"formula_full": "Li3 Fe3 Si6 O18",
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{
"id": "mp-774652",
"created_at": "2022-09-04T14:46:08.267967Z",
"structure_string": "K1 Li1 W6 O18\n1.0\n7.497162 0.021486 0.000994\n-3.729969 6.502140 -0.000623\n0.001034 -0.000139 7.721263\nK Li W O\n1 1 6 18\ndirect\n0.000013 0.000094 0.266652 K\n0.704508 0.295471 0.750854 Li\n0.004115 0.509711 0.498182 W\n0.005820 0.495169 0.002623 W\n0.492613 0.490292 0.499674 W\n0.509624 0.507262 0.000348 W\n0.490461 0.995880 0.002004 W\n0.504935 0.994253 0.497570 W\n0.008571 0.505112 0.749974 O\n0.211161 0.786540 0.009968 O\n0.213209 0.789094 0.490035 O\n0.212586 0.426611 0.491315 O\n0.494848 0.991460 0.749556 O\n0.214243 0.426411 0.008983 O\n0.572809 0.787171 0.008576 O\n0.574080 0.786175 0.490918 O\n0.496766 0.503314 0.749699 O\n0.506009 0.494091 0.250169 O\n0.429096 0.214927 0.993601 O\n0.428176 0.214041 0.506129 O\n0.785236 0.571207 0.506211 O\n0.506227 0.010285 0.250102 O\n0.785894 0.571473 0.993656 O\n0.783701 0.215970 0.989360 O\n0.783977 0.216089 0.510484 O\n0.989752 0.493749 0.250248 O\n",
"nsites": 26,
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],
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"formula_full": "K1 Li1 W6 O18",
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{
"id": "mp-1059242",
"created_at": "2022-09-04T14:46:08.272192Z",
"structure_string": "Cl1 O1\n1.0\n3.091301 0.000000 0.000000\n0.000000 3.091301 0.000000\n0.000000 0.000000 3.091301\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-1213499",
"created_at": "2022-09-04T14:46:08.277340Z",
"structure_string": "Cu2 Sn2 O24\n1.0\n7.917446 0.000000 0.000000\n0.000000 7.917446 0.000000\n0.000000 0.000000 8.365014\nCu Sn O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.435657 0.564343 0.264260 O\n0.564343 0.435657 0.264260 O\n0.935657 0.935657 0.764260 O\n0.564343 0.564343 0.735740 O\n0.064343 0.935657 0.235740 O\n0.064343 0.064343 0.764260 O\n0.435657 0.435657 0.735740 O\n0.935657 0.064343 0.235740 O\n0.061202 0.328099 0.046559 O\n0.938798 0.671901 0.046559 O\n0.171901 0.561202 0.546559 O\n0.938798 0.328099 0.953441 O\n0.438798 0.171901 0.453441 O\n0.828099 0.438798 0.546559 O\n0.061202 0.671901 0.953441 O\n0.561202 0.828099 0.453441 O\n0.828099 0.561202 0.453441 O\n0.328099 0.938798 0.953441 O\n0.171901 0.438798 0.453441 O\n0.671901 0.061202 0.953441 O\n0.561202 0.171901 0.546559 O\n0.438798 0.828099 0.546559 O\n0.328099 0.061202 0.046559 O\n0.671901 0.938798 0.046559 O\n",
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{
"id": "mp-1194724",
"created_at": "2022-09-04T14:46:08.278173Z",
"structure_string": "Mn6 H42 C18 N6 O36\n1.0\n0.000000 0.000000 -8.687899\n-6.423700 -11.125826 0.000000\n-6.422841 11.125330 0.000000\nMn H C N O\n6 42 18 6 36\ndirect\n0.080280 0.995203 0.664256 Mn\n0.080026 0.335884 0.330715 Mn\n0.080085 0.669299 0.005157 Mn\n0.580280 0.004797 0.335744 Mn\n0.580026 0.664116 0.669285 Mn\n0.580085 0.330701 0.994843 Mn\n0.858507 0.157149 0.875181 H\n0.858511 0.124800 0.281966 H\n0.858551 0.718067 0.842863 H\n0.358507 0.842850 0.124819 H\n0.358511 0.875200 0.718034 H\n0.358551 0.281933 0.157137 H\n0.871238 0.048480 0.499952 H\n0.871229 0.500063 0.548541 H\n0.871331 0.451522 0.951522 H\n0.371238 0.951520 0.500048 H\n0.371229 0.499937 0.451459 H\n0.371331 0.548478 0.048478 H\n0.786386 0.836333 0.619549 H\n0.786300 0.380435 0.216764 H\n0.786346 0.783194 0.163657 H\n0.286386 0.163667 0.380451 H\n0.286300 0.619565 0.783236 H\n0.286346 0.216806 0.836343 H\n0.175038 0.363291 0.608315 H\n0.175020 0.391707 0.754974 H\n0.175009 0.245076 0.636724 H\n0.675038 0.636709 0.391685 H\n0.675020 0.608293 0.245026 H\n0.675009 0.754924 0.363276 H\n0.019061 0.333382 0.666663 H\n0.519061 0.666618 0.333337 H\n0.173797 0.579143 0.305993 H\n0.173792 0.693980 0.273230 H\n0.173750 0.726790 0.420869 H\n0.673797 0.420857 0.694007 H\n0.673792 0.306020 0.726770 H\n0.673750 0.273210 0.579131 H\n0.017261 0.666616 0.333327 H\n0.517261 0.333384 0.666673 H\n0.480864 0.026702 0.087473 H\n0.480853 0.912586 0.939234 H\n0.480900 0.060770 0.973331 H\n0.980864 0.973298 0.912527 H\n0.980853 0.087414 0.060766 H\n0.980900 0.939230 0.026669 H\n0.637194 0.999993 0.999993 H\n0.137194 0.000007 0.000007 H\n0.841568 0.190691 0.811587 C\n0.841509 0.188367 0.379081 C\n0.841517 0.620993 0.809386 C\n0.341568 0.809309 0.188413 C\n0.341509 0.811633 0.620919 C\n0.341517 0.379007 0.190614 C\n0.843747 0.953781 0.470861 C\n0.843626 0.529178 0.482961 C\n0.843701 0.517047 0.046221 C\n0.343747 0.046219 0.529139 C\n0.343626 0.470822 0.517039 C\n0.343701 0.482953 0.953779 C\n0.811179 0.863855 0.714435 C\n0.811150 0.285571 0.149368 C\n0.811177 0.850600 0.136185 C\n0.311179 0.136145 0.285565 C\n0.311150 0.714429 0.850632 C\n0.311177 0.149400 0.863815 C\n0.136951 0.333375 0.666678 N\n0.636951 0.666625 0.333322 N\n0.135045 0.666631 0.333364 N\n0.635045 0.333369 0.666636 N\n0.519378 0.000017 0.000016 N\n0.019378 0.999983 0.999984 N\n0.934258 0.158045 0.725088 O\n0.934159 0.274916 0.432899 O\n0.934174 0.567227 0.842199 O\n0.434258 0.841955 0.274912 O\n0.434159 0.725084 0.567101 O\n0.434174 0.432773 0.157801 O\n0.727579 0.261527 0.832620 O\n0.727576 0.167248 0.428854 O\n0.727625 0.571194 0.738503 O\n0.227579 0.738473 0.167380 O\n0.227576 0.832752 0.571146 O\n0.227625 0.428806 0.261497 O\n0.931335 0.897771 0.504636 O\n0.931152 0.495421 0.393117 O\n0.931265 0.606848 0.102393 O\n0.431335 0.102229 0.495364 O\n0.431152 0.504579 0.606883 O\n0.431265 0.393152 0.897607 O\n0.724497 0.908788 0.405280 O\n0.724376 0.594750 0.503607 O\n0.724376 0.496387 0.091062 O\n0.224497 0.091212 0.594720 O\n0.224376 0.405250 0.496393 O\n0.224376 0.503613 0.908938 O\n0.928593 0.931086 0.761590 O\n0.928509 0.238377 0.169445 O\n0.928703 0.830556 0.069015 O\n0.428593 0.068914 0.238410 O\n0.428509 0.761623 0.830555 O\n0.428703 0.169444 0.930985 O\n0.723718 0.827431 0.768365 O\n0.723791 0.231644 0.058927 O\n0.723786 0.940929 0.172564 O\n0.223718 0.172569 0.231635 O\n0.223791 0.768356 0.941073 O\n0.223786 0.059071 0.827436 O\n",
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{
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],
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"formula_full": "Li1 Yb4 Ti2 O10",
"formula_reduced": "LiYb4Ti2O10",
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},
{
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{
"id": "mp-1207479",
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"structure_string": "Zn4 H24\n1.0\n5.255614 0.000000 0.000000\n0.000000 8.808585 0.000000\n0.000000 0.000000 10.711631\nZn H\n4 24\ndirect\n0.788568 0.359896 0.004060 Zn\n0.211432 0.859896 0.995940 Zn\n0.711432 0.359896 0.504060 Zn\n0.288568 0.859896 0.495940 Zn\n0.906718 0.403013 0.404530 H\n0.093282 0.903013 0.595470 H\n0.593282 0.403013 0.904530 H\n0.406718 0.903013 0.095470 H\n0.485193 0.354633 0.165708 H\n0.514807 0.854633 0.834292 H\n0.014807 0.354633 0.665708 H\n0.985193 0.854633 0.334292 H\n0.104929 0.020752 0.984995 H\n0.895071 0.520752 0.015005 H\n0.395071 0.020752 0.484995 H\n0.604929 0.520752 0.515005 H\n0.008251 0.329399 0.093610 H\n0.991749 0.829399 0.906390 H\n0.491749 0.329399 0.593610 H\n0.508251 0.829399 0.406390 H\n0.264618 0.689556 0.000332 H\n0.735382 0.189556 0.999668 H\n0.235382 0.689556 0.500332 H\n0.764618 0.189556 0.499668 H\n0.025231 0.936751 0.327398 H\n0.974769 0.436751 0.672602 H\n0.474769 0.936751 0.827398 H\n0.525231 0.436751 0.172602 H\n",
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},
{
"id": "mp-571180",
"created_at": "2022-09-04T14:46:08.292124Z",
"structure_string": "Rb2 W6 Cl18\n1.0\n4.808624 -8.328781 0.000000\n4.808624 8.328781 0.000000\n0.000000 0.000000 8.632943\nRb W Cl\n2 6 18\ndirect\n0.666667 0.333333 0.442853 Rb\n0.333333 0.666667 0.557147 Rb\n0.831515 0.813104 0.873284 W\n0.813104 0.981589 0.126716 W\n0.018411 0.831515 0.126716 W\n0.981589 0.168485 0.873284 W\n0.168485 0.186896 0.126716 W\n0.186896 0.018411 0.873284 W\n0.036912 0.633319 0.300638 Cl\n0.758922 0.171895 0.997925 Cl\n0.828105 0.587027 0.997925 Cl\n0.189255 0.209931 0.689273 Cl\n0.209931 0.020676 0.310727 Cl\n0.979324 0.189255 0.310727 Cl\n0.963088 0.366681 0.699362 Cl\n0.020676 0.810745 0.689273 Cl\n0.810745 0.790069 0.310727 Cl\n0.587027 0.758922 0.002075 Cl\n0.633319 0.596406 0.699362 Cl\n0.412973 0.241078 0.997925 Cl\n0.790069 0.979324 0.689273 Cl\n0.171895 0.412973 0.002075 Cl\n0.596406 0.963088 0.300638 Cl\n0.403594 0.036912 0.699362 Cl\n0.366681 0.403594 0.300638 Cl\n0.241078 0.828105 0.002075 Cl\n",
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}
]
}