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{
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{
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{
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{
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"structure_string": "Mn6 P6 H12 C24 O24\n1.0\n9.836443 0.000000 0.000000\n0.000000 9.121729 0.000000\n0.000000 4.958149 12.042200\nMn P H C O\n6 6 12 24 24\ndirect\n0.781342 0.747047 0.630335 Mn\n0.218658 0.252953 0.369665 Mn\n0.781342 0.252953 0.869665 Mn\n0.218658 0.747047 0.130335 Mn\n0.399475 0.500000 0.750000 Mn\n0.600525 0.500000 0.250000 Mn\n0.879843 0.500000 0.750000 P\n0.120157 0.500000 0.250000 P\n0.577139 0.610967 0.616443 P\n0.422861 0.389033 0.383557 P\n0.577139 0.389033 0.883557 P\n0.422861 0.610967 0.116443 P\n0.977691 0.541541 0.814538 H\n0.022309 0.458459 0.185462 H\n0.977691 0.458459 0.685462 H\n0.022309 0.541541 0.314538 H\n0.515323 0.712040 0.515760 H\n0.484677 0.287960 0.484240 H\n0.515323 0.287960 0.984240 H\n0.484677 0.712040 0.015760 H\n0.615548 0.492385 0.575945 H\n0.384452 0.507615 0.424055 H\n0.615548 0.507615 0.924055 H\n0.384452 0.492385 0.075945 H\n0.848112 0.704353 0.511329 C\n0.151888 0.295647 0.488671 C\n0.848112 0.295647 0.988671 C\n0.151888 0.704353 0.011329 C\n0.940328 0.845285 0.637678 C\n0.059672 0.154715 0.362322 C\n0.940328 0.154715 0.862322 C\n0.059672 0.845285 0.137678 C\n0.701063 0.928744 0.535574 C\n0.298937 0.071256 0.464426 C\n0.701063 0.071256 0.964426 C\n0.298937 0.928744 0.035574 C\n0.725279 0.783153 0.754539 C\n0.274721 0.216847 0.245461 C\n0.725279 0.216847 0.745461 C\n0.274721 0.783153 0.254539 C\n0.400496 0.686303 0.776437 C\n0.599504 0.313697 0.223563 C\n0.400496 0.313697 0.723563 C\n0.599504 0.686303 0.276437 C\n0.273948 0.413990 0.859678 C\n0.726052 0.586010 0.140322 C\n0.273948 0.586010 0.640322 C\n0.726052 0.413990 0.359678 C\n0.892720 0.682201 0.436230 O\n0.107280 0.317799 0.563770 O\n0.892720 0.317799 0.063770 O\n0.107280 0.682201 0.936230 O\n0.040107 0.910213 0.642796 O\n0.959893 0.089787 0.357204 O\n0.040107 0.089787 0.857204 O\n0.959893 0.910213 0.142796 O\n0.650687 0.043116 0.473624 O\n0.349313 0.956884 0.526376 O\n0.650687 0.956884 0.026376 O\n0.349313 0.043116 0.973624 O\n0.699702 0.814042 0.830854 O\n0.300298 0.185958 0.169146 O\n0.699702 0.185958 0.669146 O\n0.300298 0.814042 0.330854 O\n0.394801 0.802213 0.792854 O\n0.605199 0.197787 0.207146 O\n0.394801 0.197787 0.707146 O\n0.605199 0.802213 0.292854 O\n0.193756 0.360127 0.929323 O\n0.806244 0.639873 0.070677 O\n0.193756 0.639873 0.570677 O\n0.806244 0.360127 0.429323 O\n",
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{
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{
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"formula_full": "Al8 Cd12 Si12 O48",
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"spacegroup": 230
},
{
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"created_at": "2022-09-04T14:47:44.107179Z",
"structure_string": "Cs2 Co2 Cu2 F12\n1.0\n-3.642703 3.747579 5.164629\n3.642703 -3.747579 5.164629\n3.642703 3.747579 -5.164629\nCs Co Cu F\n2 2 2 12\ndirect\n0.623587 0.873587 0.750000 Cs\n0.376413 0.126413 0.250000 Cs\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.070634 0.820634 0.250000 F\n0.681118 0.431118 0.250000 F\n0.068299 0.818997 0.637236 F\n0.681761 0.431062 0.862764 F\n0.681761 0.818997 0.250699 F\n0.068299 0.431062 0.249301 F\n0.929366 0.179366 0.750000 F\n0.318882 0.568882 0.750000 F\n0.931701 0.181003 0.362764 F\n0.318239 0.568938 0.137236 F\n0.318239 0.181003 0.749301 F\n0.931701 0.568938 0.750699 F\n",
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{
"id": "mp-1445676",
"created_at": "2022-09-04T14:47:44.111264Z",
"structure_string": "Mg2 Fe2 P2 O10\n1.0\n5.370774 0.000000 0.000000\n-0.863992 5.301386 0.000000\n-1.821686 -2.142103 6.435690\nMg Fe P O\n2 2 2 10\ndirect\n0.390099 0.240847 0.819088 Mg\n0.752727 0.885108 0.322135 Mg\n0.998000 0.506647 0.511569 Fe\n0.013703 0.487153 0.011754 Fe\n0.642337 0.829459 0.755483 P\n0.337201 0.129782 0.256228 P\n0.670369 0.615138 0.866006 O\n0.807899 0.803577 0.602914 O\n0.303125 0.285251 0.096765 O\n0.122586 0.158825 0.366676 O\n0.621929 0.226624 0.416211 O\n0.328021 0.835292 0.146555 O\n0.348898 0.814513 0.638606 O\n0.730503 0.114666 0.914602 O\n0.907542 0.582187 0.253337 O\n0.093045 0.403673 0.754939 O\n",
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{
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"created_at": "2022-09-04T14:47:44.119804Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n-2.760139 2.760139 5.488623\n2.760139 -2.760139 5.488623\n2.760139 2.760139 -5.488623\nLi Mn Br\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.262574 0.262574 0.000000 Br\n0.737426 0.737426 0.000000 Br\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n",
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"formula_full": "Li2 Mn1 Br4",
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{
"id": "mp-1207313",
"created_at": "2022-09-04T14:47:55.208033Z",
"structure_string": "Mg1 Cl6\n1.0\n5.095411 -7.892621 0.000000\n5.095411 7.892621 0.000000\n0.000000 0.000000 47.406835\nMg Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249982 Cl\n0.000000 0.000000 0.750018 Cl\n0.252564 0.008747 0.000000 Cl\n0.747436 0.991253 0.000000 Cl\n0.008747 0.252564 0.000000 Cl\n0.991253 0.747436 0.000000 Cl\n",
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]
}