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{
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"structure_string": "Sr4 P8 Pd4 O28\n1.0\n6.073591 0.000000 0.000000\n0.000000 7.436712 0.000000\n0.000000 0.000000 13.606417\nSr P Pd O\n4 8 4 28\ndirect\n0.250000 0.743372 0.241991 Sr\n0.750000 0.256628 0.758009 Sr\n0.750000 0.243372 0.258009 Sr\n0.250000 0.756628 0.741991 Sr\n0.250000 0.284167 0.122216 P\n0.750000 0.715833 0.877784 P\n0.750000 0.784167 0.377784 P\n0.250000 0.215833 0.622216 P\n0.250000 0.177074 0.410743 P\n0.750000 0.822926 0.589257 P\n0.750000 0.677074 0.089257 P\n0.250000 0.322926 0.910743 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.250000 0.026206 0.338396 O\n0.750000 0.973794 0.661604 O\n0.750000 0.526206 0.161604 O\n0.250000 0.473794 0.838396 O\n0.250000 0.403326 0.022372 O\n0.750000 0.596674 0.977628 O\n0.750000 0.903326 0.477628 O\n0.250000 0.096674 0.522372 O\n0.250000 0.410357 0.208132 O\n0.750000 0.589643 0.791868 O\n0.750000 0.910357 0.291868 O\n0.250000 0.089643 0.708132 O\n0.034457 0.290557 0.403046 O\n0.965543 0.709443 0.596954 O\n0.965543 0.790557 0.096954 O\n0.534457 0.709443 0.596954 O\n0.034457 0.209443 0.903046 O\n0.465543 0.290557 0.403046 O\n0.465543 0.209443 0.903046 O\n0.534457 0.790557 0.096954 O\n0.037677 0.165937 0.120284 O\n0.962323 0.834063 0.879716 O\n0.962323 0.665937 0.379716 O\n0.537677 0.834063 0.879716 O\n0.037677 0.334063 0.620284 O\n0.462323 0.165937 0.120284 O\n0.462323 0.334063 0.620284 O\n0.537677 0.665937 0.379716 O\n",
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{
"id": "mp-1039816",
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"structure_string": "Mg30 Si1 C1 O32\n1.0\n8.461730 0.000000 0.000000\n0.000000 8.461730 0.000000\n0.000000 0.000000 8.628239\nMg Si C O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.243110 0.258945 Mg\n0.000000 0.243110 0.741055 Mg\n0.000000 0.756890 0.258945 Mg\n0.000000 0.756890 0.741055 Mg\n0.500000 0.248464 0.251542 Mg\n0.500000 0.248464 0.748458 Mg\n0.500000 0.751536 0.251542 Mg\n0.500000 0.751536 0.748458 Mg\n0.243110 0.000000 0.258945 Mg\n0.243110 0.000000 0.741055 Mg\n0.248464 0.500000 0.251542 Mg\n0.248464 0.500000 0.748458 Mg\n0.756890 0.000000 0.258945 Mg\n0.756890 0.000000 0.741055 Mg\n0.751536 0.500000 0.251542 Mg\n0.751536 0.500000 0.748458 Mg\n0.249587 0.249587 0.000000 Mg\n0.247129 0.247129 0.500000 Mg\n0.249587 0.750413 0.000000 Mg\n0.247129 0.752871 0.500000 Mg\n0.750413 0.249587 0.000000 Mg\n0.752871 0.247129 0.500000 Mg\n0.750413 0.750413 0.000000 Mg\n0.752871 0.752871 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 C\n0.231468 0.000000 0.000000 O\n0.263113 0.000000 0.500000 O\n0.247331 0.500000 0.000000 O\n0.250922 0.500000 0.500000 O\n0.768532 0.000000 0.000000 O\n0.736887 0.000000 0.500000 O\n0.752669 0.500000 0.000000 O\n0.749078 0.500000 0.500000 O\n0.248354 0.248354 0.250153 O\n0.248354 0.248354 0.749847 O\n0.248354 0.751646 0.250153 O\n0.248354 0.751646 0.749847 O\n0.751646 0.248354 0.250153 O\n0.751646 0.248354 0.749847 O\n0.751646 0.751646 0.250153 O\n0.751646 0.751646 0.749847 O\n0.000000 0.000000 0.193925 O\n0.000000 0.000000 0.806075 O\n0.000000 0.500000 0.243782 O\n0.000000 0.500000 0.756218 O\n0.500000 0.000000 0.243782 O\n0.500000 0.000000 0.756218 O\n0.500000 0.500000 0.247618 O\n0.500000 0.500000 0.752382 O\n0.000000 0.231468 0.000000 O\n0.000000 0.263113 0.500000 O\n0.000000 0.768532 0.000000 O\n0.000000 0.736887 0.500000 O\n0.500000 0.247331 0.000000 O\n0.500000 0.250922 0.500000 O\n0.500000 0.752669 0.000000 O\n0.500000 0.749078 0.500000 O\n",
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{
"id": "mp-1203814",
"created_at": "2022-09-04T14:40:16.419861Z",
"structure_string": "La4 H8 S4 N4 O28\n1.0\n7.557837 0.000000 0.000000\n0.000000 7.557837 0.000000\n0.000000 0.000000 12.444310\nLa H S N O\n4 8 4 4 28\ndirect\n0.789572 0.363551 0.539342 La\n0.210428 0.636449 0.039342 La\n0.363551 0.210428 0.289342 La\n0.636449 0.789572 0.789342 La\n0.597247 0.075846 0.926858 H\n0.402753 0.924154 0.426858 H\n0.075846 0.402753 0.676858 H\n0.924154 0.597247 0.176858 H\n0.531916 0.572472 0.962740 H\n0.468084 0.427528 0.462740 H\n0.572472 0.468084 0.712740 H\n0.427528 0.531916 0.212740 H\n0.236540 0.583184 0.751703 S\n0.763460 0.416816 0.251703 S\n0.583184 0.763460 0.501703 S\n0.416816 0.236540 0.001703 S\n0.910701 0.083890 0.745209 N\n0.089299 0.916110 0.245209 N\n0.083890 0.089299 0.495209 N\n0.916110 0.910701 0.995209 N\n0.099966 0.529820 0.657993 O\n0.900034 0.470180 0.157993 O\n0.529820 0.900034 0.407993 O\n0.470180 0.099966 0.907993 O\n0.362523 0.437986 0.757038 O\n0.637477 0.562014 0.257038 O\n0.437986 0.637477 0.507038 O\n0.562014 0.362523 0.007038 O\n0.314878 0.753169 0.720963 O\n0.685122 0.246831 0.220963 O\n0.753169 0.685122 0.470963 O\n0.246831 0.314878 0.970963 O\n0.123938 0.600883 0.848011 O\n0.876062 0.399117 0.348011 O\n0.600883 0.876062 0.598011 O\n0.399117 0.123938 0.098011 O\n0.746706 0.103860 0.720493 O\n0.253294 0.896140 0.220493 O\n0.103860 0.253294 0.470493 O\n0.896140 0.746706 0.970493 O\n0.012322 0.197034 0.704443 O\n0.987678 0.802966 0.204443 O\n0.197034 0.987678 0.454443 O\n0.802966 0.012322 0.954443 O\n0.524933 0.311708 0.444517 O\n0.475067 0.688292 0.944517 O\n0.311708 0.475067 0.194517 O\n0.688292 0.524933 0.694517 O\n",
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"formula_full": "La4 H8 S4 N4 O28",
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{
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"structure_string": "Yb4 Ga4 Ge4\n1.0\n2.122445 -3.676182 0.000000\n2.122445 3.676182 0.000000\n0.000000 0.000000 16.618017\nYb Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Yb\n0.000000 0.000000 0.250000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.842064 Ga\n0.666667 0.333333 0.657936 Ga\n0.333333 0.666667 0.157936 Ga\n0.333333 0.666667 0.342064 Ga\n0.666667 0.333333 0.110607 Ge\n0.666667 0.333333 0.389393 Ge\n0.333333 0.666667 0.889393 Ge\n0.333333 0.666667 0.610607 Ge\n",
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{
"id": "mp-1180029",
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"structure_string": "Pb1 C6 S6 N12 Cl2 O8\n1.0\n11.666306 0.071737 -1.598830\n-4.284055 10.651287 -2.626788\n-0.321493 -0.124696 6.094045\nPb C S N Cl O\n1 6 6 12 2 8\ndirect\n0.000000 0.000000 0.000000 Pb\n0.640191 0.087817 0.047977 C\n0.359809 0.912183 0.952023 C\n0.727815 0.742409 0.595051 C\n0.272185 0.257591 0.404949 C\n0.056056 0.689115 0.814936 C\n0.943944 0.310885 0.185064 C\n0.739942 0.917896 0.032468 S\n0.260058 0.082104 0.967532 S\n0.897494 0.887493 0.464194 S\n0.102506 0.112507 0.535806 S\n0.002540 0.742624 0.018990 S\n0.997460 0.257376 0.981010 S\n0.577558 0.144797 0.096779 N\n0.422442 0.855203 0.903221 N\n0.722330 0.040465 0.002779 N\n0.277670 0.959535 0.997221 N\n0.771278 0.764424 0.424564 N\n0.228722 0.235576 0.575436 N\n0.682580 0.722703 0.749639 N\n0.317420 0.277297 0.250361 N\n0.086818 0.594651 0.690210 N\n0.913182 0.405349 0.309790 N\n0.105454 0.695389 0.625441 N\n0.894546 0.304611 0.374559 N\n0.645818 0.389007 0.766821 Cl\n0.354182 0.610993 0.233179 Cl\n0.582563 0.436065 0.599404 O\n0.417437 0.563935 0.400596 O\n0.605079 0.252336 0.663211 O\n0.394921 0.747664 0.336789 O\n0.781100 0.449357 0.817337 O\n0.218900 0.550643 0.182663 O\n0.607095 0.413366 0.980398 O\n0.392905 0.586634 0.019602 O\n",
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{
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"structure_string": "Sr1 Gd1 Co2 O6\n1.0\n0.000000 3.816194 3.816194\n3.816194 0.000000 3.816194\n3.816194 3.816194 0.000000\nSr Gd Co O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Fe8 Co2 Si2 B4\n1.0\n5.475482 0.000000 0.000000\n0.000000 5.475482 0.000000\n-2.737741 -2.737741 5.145026\nFe Co Si B\n8 2 2 4\ndirect\n0.029142 0.529142 0.726202 Fe\n0.697060 0.197060 0.726202 Fe\n0.197060 0.029142 0.726202 Fe\n0.529142 0.697060 0.726202 Fe\n0.970858 0.470858 0.273798 Fe\n0.302940 0.802940 0.273798 Fe\n0.802940 0.970858 0.273798 Fe\n0.470858 0.302940 0.273798 Fe\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.500000 Si\n0.750000 0.750000 0.500000 Si\n0.379000 0.879000 0.000000 B\n0.621000 0.121000 0.000000 B\n0.121000 0.379000 0.000000 B\n0.879000 0.621000 0.000000 B\n",
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{
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{
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"structure_string": "Sr4 Ir4 N8\n1.0\n6.090789 0.000000 0.355390\n0.000000 8.297509 0.000000\n-1.907178 0.000000 4.942297\nSr Ir N\n4 4 8\ndirect\n0.322044 0.900838 0.652872 Sr\n0.677956 0.400838 0.847128 Sr\n0.677956 0.099162 0.347128 Sr\n0.322044 0.599162 0.152872 Sr\n0.119897 0.356843 0.539885 Ir\n0.880103 0.856843 0.960115 Ir\n0.880103 0.643157 0.460115 Ir\n0.119897 0.143157 0.039885 Ir\n0.216868 0.902204 0.099302 N\n0.783132 0.402204 0.400698 N\n0.783132 0.097796 0.900698 N\n0.216868 0.597796 0.599302 N\n0.267115 0.318315 0.928889 N\n0.732885 0.818315 0.571111 N\n0.732885 0.681685 0.071111 N\n0.267115 0.181685 0.428889 N\n",
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