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{
"id": "mp-1096701",
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"structure_string": "Ga2 Co1 Ir1\n1.0\n-4.777902 5.207685 7.317100\n4.777902 -5.207685 7.317100\n4.777902 5.207685 -7.317100\nGa Co Ir\n2 1 1\ndirect\n0.000000 0.251136 0.251136 Ga\n0.000000 0.748864 0.748864 Ga\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ir\n",
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{
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"formula_full": "Li5 Mn6 B6 O18",
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},
{
"id": "mp-734188",
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"structure_string": "O12\n1.0\n5.168494 0.000000 0.000000\n0.000000 5.168494 0.000000\n0.000000 0.000000 7.549121\nO\n12\ndirect\n0.929491 0.268963 0.500842 O\n0.070509 0.731037 0.000842 O\n0.731037 0.929491 0.750842 O\n0.268963 0.070509 0.250842 O\n0.768594 0.429704 0.999202 O\n0.231406 0.570296 0.499202 O\n0.570296 0.768594 0.249202 O\n0.429704 0.231406 0.749202 O\n0.512040 0.009594 0.249943 O\n0.487960 0.990406 0.749943 O\n0.990406 0.512040 0.499943 O\n0.009594 0.487960 0.999943 O\n",
"nsites": 12,
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"elements": [
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"formula_full": "O12",
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},
{
"id": "mp-757741",
"created_at": "2022-09-04T14:45:30.208550Z",
"structure_string": "Ti3 Cr1 Co2 P6 O24\n1.0\n7.405709 -4.319965 0.000000\n7.405709 4.319965 0.000000\n4.885748 0.000000 7.045289\nTi Cr Co P O\n3 1 2 6 24\ndirect\n0.357347 0.357347 0.357347 Ti\n0.142010 0.142010 0.142010 Ti\n0.642923 0.642923 0.642923 Ti\n0.859085 0.859085 0.859085 Cr\n0.999836 0.999836 0.999836 Co\n0.499233 0.499233 0.499233 Co\n0.460113 0.750858 0.041733 P\n0.750858 0.041733 0.460113 P\n0.041733 0.460113 0.750858 P\n0.957659 0.542588 0.249062 P\n0.249062 0.957659 0.542588 P\n0.542588 0.249062 0.957659 P\n0.688953 0.877962 0.503753 O\n0.877962 0.503752 0.688953 O\n0.503752 0.688953 0.877962 O\n0.263889 0.913100 0.056605 O\n0.617202 0.808756 0.008649 O\n0.436743 0.586439 0.235563 O\n0.913100 0.056605 0.263889 O\n0.586439 0.235563 0.436743 O\n0.002839 0.379204 0.186873 O\n0.235563 0.436743 0.586439 O\n0.945271 0.735825 0.088136 O\n0.186873 0.002839 0.379204 O\n0.808756 0.008649 0.617202 O\n0.056605 0.263889 0.913100 O\n0.764561 0.555117 0.413792 O\n0.008649 0.617202 0.808756 O\n0.413792 0.764561 0.555117 O\n0.088136 0.945271 0.735825 O\n0.555117 0.413792 0.764561 O\n0.379204 0.186873 0.002839 O\n0.735825 0.088136 0.945271 O\n0.494594 0.314842 0.118884 O\n0.118884 0.494594 0.314842 O\n0.314842 0.118884 0.494594 O\n",
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"formula_full": "Ti3 Cr1 Co2 P6 O24",
"formula_reduced": "Ti3CrCo2(PO4)6",
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"spacegroup": 146
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{
"id": "mp-865406",
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"structure_string": "Lu2 Zn1 Au1\n1.0\n0.000000 3.512680 3.512680\n3.512680 0.000000 3.512680\n3.512680 3.512680 0.000000\nLu Zn Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Au\n",
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"formula_full": "Lu2 Zn1 Au1",
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{
"id": "mp-580",
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"structure_string": "Pu1 B2\n1.0\n1.578685 -2.734363 0.000000\n1.578685 2.734363 0.000000\n0.000000 0.000000 3.991029\nPu B\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
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{
"id": "mp-1209578",
"created_at": "2022-09-04T14:45:30.108911Z",
"structure_string": "Rb6 Co6 Br18\n1.0\n6.457879 -11.185374 0.000000\n6.457879 11.185374 0.000000\n0.000000 0.000000 6.243637\nRb Co Br\n6 6 18\ndirect\n0.334373 0.333177 0.269703 Rb\n0.666823 0.001196 0.269703 Rb\n0.666823 0.665627 0.769703 Rb\n0.998804 0.665627 0.269703 Rb\n0.998804 0.333177 0.769703 Rb\n0.334373 0.001196 0.769703 Rb\n0.333333 0.666667 0.050961 Co\n0.333333 0.666667 0.550961 Co\n0.666667 0.333333 0.006981 Co\n0.666667 0.333333 0.506981 Co\n0.000000 0.000000 0.991749 Co\n0.000000 0.000000 0.491749 Co\n0.000305 0.158496 0.241124 Br\n0.841504 0.841809 0.241124 Br\n0.841504 0.999695 0.741124 Br\n0.158191 0.999695 0.241124 Br\n0.158191 0.158496 0.741124 Br\n0.000305 0.841809 0.741124 Br\n0.174151 0.507474 0.302754 Br\n0.492526 0.666677 0.302754 Br\n0.492526 0.825849 0.802754 Br\n0.333323 0.825849 0.302754 Br\n0.333323 0.507474 0.802754 Br\n0.174151 0.666677 0.802754 Br\n0.507667 0.173868 0.257189 Br\n0.826132 0.333799 0.257189 Br\n0.826132 0.492333 0.757189 Br\n0.666201 0.492333 0.257189 Br\n0.666201 0.173868 0.757189 Br\n0.507667 0.333799 0.757189 Br\n",
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{
"id": "mp-1224757",
"created_at": "2022-09-04T14:45:30.110393Z",
"structure_string": "In16 Bi12 S40\n1.0\n7.759574 0.000000 0.000000\n-0.023269 11.716810 0.000000\n-0.000454 -2.537784 17.840223\nIn Bi S\n16 12 40\ndirect\n0.498713 0.220721 0.038805 In\n0.249328 0.730933 0.380926 In\n0.750629 0.734788 0.382433 In\n0.243738 0.944817 0.679020 In\n0.751264 0.944610 0.675038 In\n0.999253 0.902349 0.856816 In\n0.504259 0.694281 0.559196 In\n0.499050 0.907671 0.857665 In\n0.499608 0.777899 0.204171 In\n0.999713 0.219382 0.038479 In\n0.995335 0.690659 0.564783 In\n0.999928 0.777294 0.203640 In\n0.250514 0.860120 0.034948 In\n0.749966 0.860187 0.035059 In\n0.249795 0.417141 0.200165 In\n0.750649 0.418423 0.200264 In\n0.295235 0.570490 0.736179 Bi\n0.699178 0.570851 0.736156 Bi\n0.247862 0.374434 0.433392 Bi\n0.744196 0.365124 0.432795 Bi\n0.498402 0.259839 0.804290 Bi\n0.248828 0.505337 0.984474 Bi\n0.751359 0.505053 0.984691 Bi\n0.499360 0.132614 0.254325 Bi\n0.998448 0.277600 0.807978 Bi\n0.994273 0.133252 0.254563 Bi\n0.437393 0.062785 0.501815 Bi\n0.030513 0.069567 0.502752 Bi\n0.999824 0.001125 0.000026 S\n0.999313 0.085518 0.647575 S\n0.499696 0.484283 0.877312 S\n0.498268 0.865440 0.348068 S\n0.249075 0.635042 0.238036 S\n0.750023 0.636517 0.238946 S\n0.001815 0.864689 0.348449 S\n0.500132 0.714528 0.058938 S\n0.491338 0.297746 0.518332 S\n0.000421 0.598851 0.426096 S\n0.999857 0.800144 0.705770 S\n0.247733 0.273330 0.948011 S\n0.750978 0.273058 0.947882 S\n0.501073 0.364516 0.290539 S\n0.248185 0.151143 0.361319 S\n0.747820 0.145442 0.363360 S\n0.000077 0.434974 0.094956 S\n0.257855 0.840815 0.532319 S\n0.756513 0.837112 0.533328 S\n0.999932 0.496332 0.875766 S\n0.499828 0.598800 0.422029 S\n0.251996 0.772434 0.890821 S\n0.746636 0.773486 0.890519 S\n0.999466 0.714422 0.058224 S\n0.500460 0.003158 0.000854 S\n0.249612 0.202719 0.143985 S\n0.750105 0.202844 0.143784 S\n0.998638 0.365149 0.291063 S\n0.000809 0.300806 0.518678 S\n0.492270 0.080596 0.647467 S\n0.252869 0.556963 0.590616 S\n0.742856 0.551663 0.591163 S\n0.247715 0.038956 0.816375 S\n0.747612 0.039415 0.813258 S\n0.252976 0.338403 0.719934 S\n0.743837 0.338120 0.720445 S\n0.500014 0.796764 0.706448 S\n0.500820 0.435470 0.094799 S\n0.249961 0.922875 0.180069 S\n0.750701 0.923030 0.180470 S\n",
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{
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"structure_string": "Pr4 B3 Rh12\n1.0\n4.280294 0.000000 0.000000\n0.000000 4.280294 0.000000\n0.000000 0.000000 16.716240\nPr B Rh\n4 3 12\ndirect\n0.000000 0.000000 0.879885 Pr\n0.000000 0.000000 0.120115 Pr\n0.000000 0.000000 0.373919 Pr\n0.000000 0.000000 0.626081 Pr\n0.500000 0.500000 0.239258 B\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.760742 B\n0.500000 0.500000 0.885092 Rh\n0.500000 0.500000 0.114908 Rh\n0.500000 0.500000 0.370947 Rh\n0.500000 0.500000 0.629053 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.000000 0.246601 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.000000 0.753399 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.500000 0.246601 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.753399 Rh\n",
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{
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