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{
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"structure_string": "Ti4 Si8 C12 N8 Cl20\n1.0\n13.500439 0.000000 0.000000\n0.000000 7.404467 0.000000\n0.000000 5.756707 14.691123\nTi Si C N Cl\n4 8 12 8 20\ndirect\n0.588780 0.641168 0.033393 Ti\n0.911220 0.641168 0.533393 Ti\n0.411220 0.358832 0.966607 Ti\n0.088780 0.358832 0.466607 Ti\n0.779782 0.436234 0.167130 Si\n0.720218 0.436234 0.667130 Si\n0.220218 0.563766 0.832870 Si\n0.279782 0.563766 0.332870 Si\n0.754841 0.802829 0.976554 Si\n0.745159 0.802829 0.476554 Si\n0.245159 0.197171 0.023446 Si\n0.254841 0.197171 0.523446 Si\n0.938402 0.348109 0.253116 C\n0.561598 0.348109 0.753116 C\n0.061598 0.651891 0.746884 C\n0.438402 0.651891 0.246884 C\n0.906794 0.334696 0.172286 C\n0.593206 0.334696 0.672286 C\n0.093206 0.665304 0.827714 C\n0.406794 0.665304 0.327714 C\n0.868294 0.488153 0.246591 C\n0.631706 0.488153 0.746591 C\n0.131706 0.511847 0.753409 C\n0.368294 0.511847 0.253409 C\n0.729176 0.607723 0.076072 N\n0.770824 0.607723 0.576072 N\n0.270824 0.392277 0.923928 N\n0.229176 0.392277 0.423928 N\n0.631110 0.846533 0.946577 N\n0.868890 0.846533 0.446577 N\n0.368890 0.153467 0.053423 N\n0.131110 0.153467 0.553423 N\n0.408126 0.618679 0.025174 Cl\n0.091874 0.618679 0.525174 Cl\n0.591874 0.381321 0.974826 Cl\n0.908126 0.381321 0.474826 Cl\n0.542484 0.744841 0.181242 Cl\n0.957516 0.744841 0.681242 Cl\n0.457516 0.255159 0.818758 Cl\n0.042484 0.255159 0.318758 Cl\n0.672308 0.236906 0.228434 Cl\n0.827692 0.236906 0.728434 Cl\n0.327692 0.763094 0.771566 Cl\n0.172308 0.763094 0.271566 Cl\n0.832643 0.718933 0.885826 Cl\n0.667357 0.718933 0.385826 Cl\n0.167357 0.281067 0.114174 Cl\n0.332643 0.281067 0.614174 Cl\n0.831657 0.020542 0.997485 Cl\n0.668343 0.020542 0.497485 Cl\n0.168343 0.979458 0.002515 Cl\n0.331657 0.979458 0.502515 Cl\n",
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"formula_full": "Ti4 Si8 C12 N8 Cl20",
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"spacegroup": 14
},
{
"id": "mp-1235690",
"created_at": "2022-09-04T14:48:17.112846Z",
"structure_string": "Ba2 Li1 Ho1 Ru1 O6\n1.0\n5.235440 -0.129993 3.155131\n1.722101 4.870839 2.982768\n0.114704 -0.129993 6.111589\nBa Li Ho Ru O\n2 1 1 1 6\ndirect\n0.707584 0.792416 0.707584 Ba\n0.292415 0.207585 0.292415 Ba\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Ru\n0.232424 0.750970 0.767576 O\n0.233492 0.766508 0.233492 O\n0.766508 0.233492 0.766508 O\n0.232424 0.249030 0.767576 O\n0.767576 0.249030 0.232424 O\n0.767576 0.750970 0.232424 O\n",
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"formula_full": "Ba2 Li1 Ho1 Ru1 O6",
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{
"id": "mp-1177056",
"created_at": "2022-09-04T14:48:17.119679Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n-9.783787 0.000000 0.000000\n4.866735 8.489161 0.000000\n-0.000526 -0.064674 -14.103039\nLi V P O\n10 6 16 58\ndirect\n0.086323 0.316406 0.439047 Li\n0.679849 0.773792 0.447141 Li\n0.666695 0.902119 0.937612 Li\n0.098590 0.766620 0.939159 Li\n0.228677 0.908846 0.441218 Li\n0.334503 0.100251 0.057588 Li\n0.323406 0.232201 0.565256 Li\n0.907268 0.680884 0.561860 Li\n0.767508 0.668669 0.054297 Li\n0.011264 0.066404 0.007822 Li\n0.569863 0.002226 0.746374 V\n0.434203 0.999500 0.249688 V\n0.995932 0.428175 0.247336 V\n0.001729 0.562876 0.750235 V\n0.429987 0.436566 0.756991 V\n0.566021 0.563793 0.248099 V\n0.223002 0.306818 0.161991 P\n0.086025 0.314793 0.655224 P\n0.679853 0.768054 0.659872 P\n0.339855 0.675593 0.871646 P\n0.331865 0.663691 0.368399 P\n0.685421 0.911196 0.153843 P\n0.770768 0.083580 0.337425 P\n0.086403 0.770766 0.158922 P\n0.914604 0.222422 0.839029 P\n0.229127 0.910564 0.659243 P\n0.314505 0.086372 0.842101 P\n0.660954 0.334390 0.631642 P\n0.665070 0.333371 0.129210 P\n0.319867 0.231672 0.345278 P\n0.911123 0.680738 0.341099 P\n0.773328 0.683643 0.840218 P\n0.249521 0.248187 0.435980 O\n0.250768 0.332478 0.662526 O\n0.996654 0.202089 0.921230 O\n0.087078 0.342683 0.164318 O\n0.384023 0.461983 0.170900 O\n0.332594 0.522261 0.828629 O\n0.521306 0.619037 0.674326 O\n0.773424 0.770781 0.928887 O\n0.662468 0.740023 0.163782 O\n0.183399 0.510173 0.332982 O\n0.098182 0.477893 0.679952 O\n0.480812 0.663856 0.319801 O\n0.359451 0.689944 0.976674 O\n0.352107 0.669740 0.473364 O\n0.492639 0.817667 0.825085 O\n0.093385 0.620071 0.172088 O\n0.191451 0.680207 0.835503 O\n0.660655 0.916636 0.664431 O\n0.797219 0.007300 0.241374 O\n0.758713 0.986654 0.420432 O\n0.771146 0.979052 0.062928 O\n0.528441 0.906737 0.167946 O\n0.326440 0.811768 0.329932 O\n0.739841 0.080352 0.835711 O\n0.380394 0.900485 0.676887 O\n0.082026 0.744971 0.657854 O\n0.987066 0.200446 0.740777 O\n0.006906 0.252322 0.562756 O\n0.998178 0.760169 0.430759 O\n0.915533 0.251345 0.338994 O\n0.618271 0.094310 0.319380 O\n0.253996 0.918689 0.162569 O\n0.660382 0.184672 0.678157 O\n0.469601 0.082475 0.826720 O\n0.230070 0.998209 0.930895 O\n0.242714 0.000846 0.570210 O\n0.206134 0.996875 0.750043 O\n0.335682 0.082511 0.342371 O\n0.804420 0.322683 0.172706 O\n0.914241 0.378501 0.830996 O\n0.508003 0.188673 0.164565 O\n0.665651 0.357967 0.024928 O\n0.654372 0.325181 0.526283 O\n0.510916 0.331347 0.673506 O\n0.902723 0.521719 0.323244 O\n0.812827 0.484403 0.669465 O\n0.341052 0.252528 0.840909 O\n0.203983 0.211623 0.259114 O\n0.210382 0.203122 0.080382 O\n0.479658 0.381022 0.322301 O\n0.674417 0.489677 0.176909 O\n0.623644 0.523928 0.828588 O\n0.921929 0.664563 0.838145 O\n0.001165 0.773960 0.070347 O\n0.998010 0.791618 0.250922 O\n0.743290 0.662304 0.340544 O\n0.762215 0.763185 0.570982 O\n0.793983 0.791705 0.749253 O\n",
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"formula_full": "Li10 V6 P16 O58",
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{
"id": "mp-1214329",
"created_at": "2022-09-04T14:48:17.171939Z",
"structure_string": "Ba1 Lu1 Fe4 O7\n1.0\n0.000000 4.494467 4.494467\n4.494467 0.000000 4.494467\n4.494467 4.494467 0.000000\nBa Lu Fe O\n1 1 4 7\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Lu\n0.379035 0.379035 0.379035 Fe\n0.379035 0.379035 0.862895 Fe\n0.379035 0.862895 0.379035 Fe\n0.862895 0.379035 0.379035 Fe\n0.755340 0.244660 0.244660 O\n0.244660 0.755340 0.755340 O\n0.244660 0.755340 0.244660 O\n0.755340 0.244660 0.755340 O\n0.244660 0.244660 0.755340 O\n0.755340 0.755340 0.244660 O\n0.250000 0.250000 0.250000 O\n",
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"formula_full": "Ba1 Lu1 Fe4 O7",
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{
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"structure_string": "Cu4 Te8 Pb4 O28\n1.0\n5.554474 0.000000 0.000000\n0.000000 7.271478 0.000000\n0.000000 0.000000 15.449796\nCu Te Pb O\n4 8 4 28\ndirect\n0.250000 0.737338 0.613770 Cu\n0.750000 0.262662 0.386230 Cu\n0.750000 0.737338 0.886230 Cu\n0.250000 0.262662 0.113770 Cu\n0.750000 0.994140 0.671964 Te\n0.250000 0.005860 0.328036 Te\n0.250000 0.994140 0.828036 Te\n0.750000 0.005860 0.171964 Te\n0.750000 0.486749 0.675220 Te\n0.250000 0.513251 0.324780 Te\n0.250000 0.486749 0.824780 Te\n0.750000 0.513251 0.175220 Te\n0.750000 0.785248 0.461780 Pb\n0.250000 0.214752 0.538220 Pb\n0.250000 0.785248 0.038220 Pb\n0.750000 0.214752 0.961780 Pb\n0.750000 0.232146 0.611669 O\n0.250000 0.767854 0.388331 O\n0.250000 0.232146 0.888331 O\n0.750000 0.767854 0.111669 O\n0.008602 0.543561 0.600050 O\n0.508602 0.456439 0.399950 O\n0.991398 0.543561 0.899950 O\n0.491398 0.456439 0.100050 O\n0.991398 0.456439 0.399950 O\n0.491398 0.543561 0.600050 O\n0.008602 0.456439 0.100050 O\n0.508602 0.543561 0.899950 O\n0.750000 0.760991 0.731514 O\n0.250000 0.239009 0.268486 O\n0.250000 0.760991 0.768486 O\n0.750000 0.239009 0.231514 O\n0.998769 0.922034 0.588641 O\n0.498769 0.077966 0.411359 O\n0.001231 0.922034 0.911359 O\n0.501231 0.077966 0.088641 O\n0.001231 0.077966 0.411359 O\n0.501231 0.922034 0.588641 O\n0.998769 0.077966 0.088641 O\n0.498769 0.922034 0.911359 O\n0.500000 0.105780 0.750000 O\n0.000000 0.894220 0.250000 O\n0.500000 0.894220 0.250000 O\n0.000000 0.105780 0.750000 O\n",
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{
"id": "mp-753235",
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"structure_string": "Li4 Mn6 Te2 O16\n1.0\n3.032633 -5.252674 0.000000\n3.032633 5.252674 0.000000\n0.000000 0.000000 9.894783\nLi Mn Te O\n4 6 2 16\ndirect\n0.333333 0.666667 0.912046 Li\n0.000000 0.000000 0.981634 Li\n0.000000 0.000000 0.481634 Li\n0.666667 0.333333 0.412046 Li\n0.170710 0.829290 0.211195 Mn\n0.170710 0.341420 0.211195 Mn\n0.658580 0.829290 0.211195 Mn\n0.341420 0.170710 0.711195 Mn\n0.829290 0.658580 0.711195 Mn\n0.829290 0.170710 0.711195 Mn\n0.333333 0.666667 0.482923 Te\n0.666667 0.333333 0.982923 Te\n0.173330 0.826670 0.589217 O\n0.038531 0.519266 0.357219 O\n0.333333 0.666667 0.114198 O\n0.000000 0.000000 0.290127 O\n0.000000 0.000000 0.790127 O\n0.173330 0.346660 0.589217 O\n0.480734 0.961469 0.357219 O\n0.480734 0.519266 0.357219 O\n0.346660 0.173330 0.089217 O\n0.653340 0.826670 0.589217 O\n0.519266 0.480734 0.857219 O\n0.519266 0.038531 0.857219 O\n0.666667 0.333333 0.614198 O\n0.826670 0.653340 0.089217 O\n0.961469 0.480734 0.857219 O\n0.826670 0.173330 0.089217 O\n",
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{
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{
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