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{
"id": "mp-42458",
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{
"id": "mp-1147551",
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"structure_string": "K1 Cu1 Te1 O6\n1.0\n2.553924 -4.423527 0.000000\n2.553924 4.423527 0.000000\n0.000000 0.000000 6.195512\nK Cu Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Te\n0.375611 0.995936 0.676215 O\n0.004064 0.379675 0.676215 O\n0.620325 0.624389 0.676215 O\n0.004064 0.624389 0.323785 O\n0.620325 0.995936 0.323785 O\n0.375611 0.379675 0.323785 O\n",
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"updated_at": "2021-11-28T01:36:54.345000Z",
"spacegroup": 149
},
{
"id": "mp-765488",
"created_at": "2022-09-04T14:45:15.321480Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n4.858666 8.468185 0.000000\n-4.858666 8.468185 0.000000\n0.000000 0.160972 14.373457\nLi V P O\n6 6 16 58\ndirect\n0.096357 0.227795 0.942387 Li\n0.227795 0.096357 0.442387 Li\n0.322334 0.766592 0.558533 Li\n0.766592 0.322334 0.058533 Li\n0.016861 0.920737 0.007498 Li\n0.920737 0.016861 0.507498 Li\n0.567146 0.000322 0.752641 V\n0.442163 0.997730 0.242383 V\n0.000322 0.567146 0.252641 V\n0.997730 0.442163 0.742383 V\n0.435104 0.563208 0.754392 V\n0.563208 0.435104 0.254392 V\n0.220292 0.696030 0.164410 P\n0.085376 0.699950 0.656508 P\n0.696030 0.220292 0.664410 P\n0.330298 0.330869 0.866230 P\n0.330869 0.330298 0.366230 P\n0.699950 0.085376 0.156508 P\n0.775643 0.917102 0.339643 P\n0.088466 0.229678 0.157428 P\n0.917102 0.775643 0.839643 P\n0.229678 0.088466 0.657428 P\n0.304360 0.915982 0.838114 P\n0.659332 0.672415 0.633602 P\n0.672415 0.659332 0.133602 P\n0.314836 0.778558 0.342647 P\n0.915982 0.304360 0.338114 P\n0.778558 0.314836 0.842647 P\n0.241980 0.782394 0.434544 O\n0.262743 0.655633 0.663756 O\n0.996065 0.784132 0.924229 O\n0.085015 0.656267 0.172495 O\n0.382280 0.540029 0.175687 O\n0.334803 0.478689 0.821845 O\n0.540029 0.382280 0.675687 O\n0.782394 0.241980 0.934544 O\n0.655633 0.262743 0.163756 O\n0.185332 0.480335 0.322403 O\n0.080126 0.542133 0.668189 O\n0.478689 0.334803 0.321845 O\n0.326301 0.329226 0.969264 O\n0.329226 0.326301 0.469264 O\n0.480335 0.185332 0.822403 O\n0.089718 0.384449 0.173960 O\n0.183755 0.331273 0.821822 O\n0.656267 0.085015 0.672495 O\n0.798667 0.002958 0.249470 O\n0.784132 0.996065 0.424229 O\n0.799229 0.009200 0.073520 O\n0.542133 0.080126 0.168189 O\n0.331273 0.183755 0.321822 O\n0.741158 0.910801 0.831343 O\n0.384449 0.089718 0.673960 O\n0.087431 0.260934 0.665458 O\n0.002958 0.798667 0.749470 O\n0.009200 0.799229 0.573520 O\n0.003925 0.198504 0.417683 O\n0.910801 0.741158 0.331343 O\n0.616086 0.920943 0.323237 O\n0.260934 0.087431 0.165458 O\n0.660852 0.815295 0.680943 O\n0.459701 0.921049 0.829919 O\n0.198504 0.003925 0.917683 O\n0.229189 0.009486 0.568280 O\n0.208139 0.991656 0.741603 O\n0.344420 0.920484 0.332936 O\n0.815295 0.660852 0.180943 O\n0.920943 0.616086 0.823237 O\n0.522626 0.810767 0.177918 O\n0.674631 0.656124 0.030650 O\n0.656124 0.674631 0.530650 O\n0.509336 0.672112 0.674632 O\n0.921049 0.459701 0.329919 O\n0.810767 0.522626 0.677918 O\n0.343285 0.740609 0.833087 O\n0.200613 0.796340 0.258606 O\n0.200864 0.794371 0.081377 O\n0.473519 0.619606 0.324848 O\n0.672112 0.509336 0.174632 O\n0.619606 0.473519 0.824848 O\n0.920484 0.344420 0.832936 O\n0.009486 0.229189 0.068280 O\n0.991656 0.208139 0.241603 O\n0.740609 0.343285 0.333087 O\n0.794371 0.200864 0.581377 O\n0.796340 0.200613 0.758606 O\n",
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"formula_full": "Li6 V6 P16 O58",
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},
{
"id": "mp-768668",
"created_at": "2022-09-04T14:45:15.325914Z",
"structure_string": "Li4 Ti3 V3 W2 O16\n1.0\n2.997674 5.212030 0.000000\n-2.997674 5.212030 0.000000\n0.000000 0.265533 9.872740\nLi Ti V W O\n4 3 3 2 16\ndirect\n0.665206 0.665206 0.101079 Li\n0.996163 0.996163 0.011543 Li\n0.002693 0.002693 0.505748 Li\n0.332451 0.332451 0.598740 Li\n0.336446 0.838907 0.785668 Ti\n0.838907 0.336446 0.785668 Ti\n0.173584 0.173584 0.279882 Ti\n0.826072 0.826072 0.787945 V\n0.185423 0.651766 0.288806 V\n0.651766 0.185423 0.288806 V\n0.669792 0.669792 0.510800 W\n0.339333 0.339333 0.012472 W\n0.336771 0.836114 0.404968 O\n0.522399 0.522399 0.657288 O\n0.650623 0.650623 0.894210 O\n0.005288 0.005288 0.691662 O\n0.007153 0.007153 0.197711 O\n0.836114 0.336771 0.404968 O\n0.507318 0.961192 0.655549 O\n0.961192 0.507318 0.655549 O\n0.162994 0.162994 0.891524 O\n0.829960 0.829960 0.410952 O\n0.038098 0.474273 0.157524 O\n0.474273 0.038098 0.157524 O\n0.319356 0.319356 0.399001 O\n0.169862 0.674578 0.900549 O\n0.485730 0.485730 0.155496 O\n0.674578 0.169862 0.900549 O\n",
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{
"id": "mp-734836",
"created_at": "2022-09-04T14:45:15.330037Z",
"structure_string": "Zn2 H24 C12 S4 N20 O4\n1.0\n2.378412 9.735393 0.000000\n-2.378412 9.735393 0.000000\n0.000000 7.317061 17.249116\nZn H C S N O\n2 24 12 4 20 4\ndirect\n0.666647 0.333353 0.750000 Zn\n0.333353 0.666647 0.250000 Zn\n0.395109 0.843301 0.041242 H\n0.156699 0.604891 0.458758 H\n0.604891 0.156699 0.958758 H\n0.843301 0.395109 0.541242 H\n0.501779 0.584855 0.035251 H\n0.415145 0.498221 0.464749 H\n0.498221 0.415145 0.964749 H\n0.584855 0.501779 0.535251 H\n0.119138 0.241682 0.951570 H\n0.758318 0.880862 0.548430 H\n0.880862 0.758318 0.048430 H\n0.241682 0.119138 0.451570 H\n0.012127 0.295227 0.874890 H\n0.704773 0.987873 0.625110 H\n0.987873 0.704773 0.125110 H\n0.295227 0.012127 0.374890 H\n0.879075 0.475617 0.737234 H\n0.524383 0.120925 0.762766 H\n0.120925 0.524383 0.262766 H\n0.475617 0.879075 0.237234 H\n0.766770 0.701659 0.761000 H\n0.298341 0.233230 0.739000 H\n0.233230 0.298341 0.239000 H\n0.701659 0.766770 0.261000 H\n0.099301 0.981135 0.863560 C\n0.018865 0.900699 0.636440 C\n0.900699 0.018865 0.136440 C\n0.981135 0.099301 0.363560 C\n0.267758 0.919468 0.949155 C\n0.080532 0.732242 0.550845 C\n0.732242 0.080532 0.050845 C\n0.919468 0.267758 0.449155 C\n0.138136 0.599041 0.852688 C\n0.400959 0.861864 0.647312 C\n0.861864 0.400959 0.147312 C\n0.599041 0.138136 0.352688 C\n0.854384 0.753533 0.902046 S\n0.246467 0.145616 0.597954 S\n0.145616 0.246467 0.097954 S\n0.753533 0.854384 0.402046 S\n0.348415 0.482048 0.816670 N\n0.517952 0.651585 0.683330 N\n0.651585 0.517952 0.183330 N\n0.482048 0.348415 0.316670 N\n0.945775 0.119916 0.816323 N\n0.880084 0.054225 0.683677 N\n0.054225 0.880084 0.183677 N\n0.119916 0.945775 0.316323 N\n0.270121 0.818338 0.916064 N\n0.181662 0.729879 0.583936 N\n0.729879 0.181662 0.083936 N\n0.818338 0.270121 0.416064 N\n0.425077 0.754129 0.009282 N\n0.245871 0.574923 0.490718 N\n0.574923 0.245871 0.990718 N\n0.754129 0.425077 0.509282 N\n0.118444 0.172154 0.924020 N\n0.827846 0.881556 0.575980 N\n0.881556 0.827846 0.075980 N\n0.172154 0.118444 0.424020 N\n0.917952 0.493993 0.769948 O\n0.506007 0.082048 0.730052 O\n0.082048 0.506007 0.230052 O\n0.493993 0.917952 0.269948 O\n",
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{
"id": "mp-1203117",
"created_at": "2022-09-04T14:45:15.331607Z",
"structure_string": "In4 P12 Pb8 O44\n1.0\n7.166649 0.000000 0.000000\n0.000000 6.703452 0.000000\n0.000000 3.374780 20.023494\nIn P Pb O\n4 12 8 44\ndirect\n0.130527 0.949084 0.878669 In\n0.630527 0.050916 0.621331 In\n0.869473 0.050916 0.121331 In\n0.369473 0.949084 0.378669 In\n0.469115 0.818866 0.774134 P\n0.969115 0.181134 0.725866 P\n0.530885 0.181134 0.225866 P\n0.030885 0.818866 0.274134 P\n0.861475 0.566940 0.090203 P\n0.361475 0.433060 0.409797 P\n0.138525 0.433060 0.909797 P\n0.638525 0.566940 0.590203 P\n0.195778 0.816493 0.045755 P\n0.695778 0.183507 0.454245 P\n0.804222 0.183507 0.954245 P\n0.304222 0.816493 0.545755 P\n0.625117 0.672106 0.924566 Pb\n0.125117 0.327894 0.575434 Pb\n0.374883 0.327894 0.075434 Pb\n0.874883 0.672106 0.424566 Pb\n0.479547 0.332350 0.770548 Pb\n0.979547 0.667650 0.729452 Pb\n0.520453 0.667650 0.229452 Pb\n0.020453 0.332350 0.270548 Pb\n0.642717 0.687244 0.798156 O\n0.142717 0.312756 0.701844 O\n0.357283 0.312756 0.201844 O\n0.857283 0.687244 0.298156 O\n0.401666 0.910823 0.837003 O\n0.901666 0.089177 0.662997 O\n0.598334 0.089177 0.162997 O\n0.098334 0.910823 0.337003 O\n0.322007 0.682624 0.748842 O\n0.822007 0.317376 0.751158 O\n0.677993 0.317376 0.251158 O\n0.177993 0.682624 0.248842 O\n0.518590 0.006492 0.721128 O\n0.018590 0.993508 0.778872 O\n0.481410 0.993508 0.278872 O\n0.981410 0.006492 0.221128 O\n0.960015 0.371212 0.125207 O\n0.460015 0.628788 0.374793 O\n0.039985 0.628788 0.874793 O\n0.539985 0.371212 0.625207 O\n0.691737 0.520387 0.050347 O\n0.191737 0.479613 0.449653 O\n0.308263 0.479613 0.949653 O\n0.808263 0.520387 0.550347 O\n0.007707 0.684847 0.035247 O\n0.507707 0.315153 0.464753 O\n0.992293 0.315153 0.964753 O\n0.492293 0.684847 0.535247 O\n0.822920 0.714753 0.139240 O\n0.322920 0.285247 0.360760 O\n0.177080 0.285247 0.860760 O\n0.677080 0.714753 0.639240 O\n0.864001 0.005369 0.919532 O\n0.364001 0.994631 0.580468 O\n0.135999 0.994631 0.080468 O\n0.635999 0.005369 0.419532 O\n0.668039 0.323249 0.911803 O\n0.168039 0.676751 0.588197 O\n0.331961 0.676751 0.088197 O\n0.831961 0.323249 0.411803 O\n0.266089 0.895754 0.974801 O\n0.766089 0.104246 0.525199 O\n0.733911 0.104246 0.025199 O\n0.233911 0.895754 0.474801 O\n",
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{
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