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{
"id": "mp-1443117",
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"structure_string": "Ca4 Cu2 N4\n1.0\n2.489239 5.427839 0.000000\n-2.489239 5.427839 0.000000\n0.000000 3.501951 5.882194\nCa Cu N\n4 2 4\ndirect\n0.324019 0.324019 0.580632 Ca\n0.675981 0.675981 0.419368 Ca\n0.959838 0.959838 0.762303 Ca\n0.040162 0.040162 0.237697 Ca\n0.636287 0.636287 0.883923 Cu\n0.363713 0.363713 0.116077 Cu\n0.816797 0.816797 0.599288 N\n0.183203 0.183203 0.400712 N\n0.524068 0.524068 0.201665 N\n0.475932 0.475932 0.798335 N\n",
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{
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{
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"structure_string": "Zr6 Co1 As2\n1.0\n3.771209 -6.531926 0.000000\n3.771209 6.531926 0.000000\n0.000000 0.000000 3.580781\nZr Co As\n6 1 2\ndirect\n0.247175 0.000000 0.000000 Zr\n0.752825 0.752825 0.000000 Zr\n0.000000 0.247175 0.000000 Zr\n0.000000 0.586456 0.500000 Zr\n0.413544 0.413544 0.500000 Zr\n0.586456 0.000000 0.500000 Zr\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n",
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"formula_full": "Zr6 Co1 As2",
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},
{
"id": "mp-759527",
"created_at": "2022-09-04T14:48:01.377321Z",
"structure_string": "Li4 Mn8 F28\n1.0\n7.597611 0.000000 0.000000\n0.000000 7.262092 0.000000\n0.000000 0.265623 9.792862\nLi Mn F\n4 8 28\ndirect\n0.126044 0.387174 0.381674 Li\n0.373956 0.387174 0.881674 Li\n0.626044 0.612826 0.118326 Li\n0.873956 0.612826 0.618326 Li\n0.619591 0.084045 0.111748 Mn\n0.880409 0.084045 0.611748 Mn\n0.628581 0.350800 0.428759 Mn\n0.871419 0.350800 0.928759 Mn\n0.128581 0.649200 0.071241 Mn\n0.371419 0.649200 0.571241 Mn\n0.119591 0.915955 0.388252 Mn\n0.380409 0.915955 0.888252 Mn\n0.352380 0.015555 0.064111 F\n0.147620 0.015555 0.564111 F\n0.154774 0.144467 0.313332 F\n0.889363 0.183486 0.075951 F\n0.568740 0.173401 0.293332 F\n0.345226 0.144467 0.813332 F\n0.610637 0.183486 0.575951 F\n0.931260 0.173401 0.793332 F\n0.579978 0.323424 0.020521 F\n0.920022 0.323424 0.520521 F\n0.356498 0.438667 0.455668 F\n0.143502 0.438667 0.955668 F\n0.205113 0.502119 0.212903 F\n0.294887 0.502119 0.712903 F\n0.705113 0.497881 0.287097 F\n0.794887 0.497881 0.787097 F\n0.856498 0.561333 0.044332 F\n0.643502 0.561333 0.544332 F\n0.079978 0.676576 0.479479 F\n0.420022 0.676576 0.979479 F\n0.068740 0.826599 0.206668 F\n0.389363 0.816514 0.424049 F\n0.654774 0.855533 0.186668 F\n0.431260 0.826599 0.706668 F\n0.110637 0.816514 0.924049 F\n0.845226 0.855533 0.686668 F\n0.852380 0.984445 0.435889 F\n0.647620 0.984445 0.935889 F\n",
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"formula_full": "Li4 Mn8 F28",
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{
"id": "mp-12146",
"created_at": "2022-09-04T14:47:59.017282Z",
"structure_string": "Ca8 B16 F64\n1.0\n9.056653 0.000000 0.000000\n0.000000 9.413202 0.000000\n0.000000 0.000000 13.595254\nCa B F\n8 16 64\ndirect\n0.780750 0.466091 0.396164 Ca\n0.280750 0.533909 0.103836 Ca\n0.719250 0.966091 0.603836 Ca\n0.219250 0.033909 0.896164 Ca\n0.219250 0.533909 0.603836 Ca\n0.719250 0.466091 0.896164 Ca\n0.280750 0.033909 0.396164 Ca\n0.780750 0.966091 0.103836 Ca\n0.002751 0.721158 0.943682 B\n0.675749 0.103587 0.341214 B\n0.175749 0.896413 0.158786 B\n0.824251 0.603587 0.658786 B\n0.324251 0.396413 0.841214 B\n0.324251 0.896413 0.658786 B\n0.824251 0.103587 0.841214 B\n0.175749 0.396413 0.341214 B\n0.675749 0.603587 0.158786 B\n0.502751 0.278842 0.556318 B\n0.497249 0.221157 0.056318 B\n0.997249 0.778842 0.443682 B\n0.997249 0.278842 0.056318 B\n0.497249 0.721158 0.443682 B\n0.502751 0.778842 0.943682 B\n0.002751 0.221157 0.556318 B\n0.978976 0.085497 0.831006 F\n0.749676 0.513027 0.225922 F\n0.249676 0.486973 0.274078 F\n0.750324 0.013027 0.774078 F\n0.250324 0.986973 0.725922 F\n0.250324 0.486973 0.774078 F\n0.750324 0.513027 0.725922 F\n0.249676 0.986973 0.225922 F\n0.904452 0.813069 0.994532 F\n0.404452 0.186931 0.505468 F\n0.595548 0.313069 0.005468 F\n0.095548 0.686931 0.494532 F\n0.095548 0.186931 0.005468 F\n0.595548 0.813069 0.494532 F\n0.404452 0.686931 0.994532 F\n0.904452 0.313069 0.505468 F\n0.580201 0.127316 0.115940 F\n0.080201 0.872684 0.384060 F\n0.919799 0.627316 0.884060 F\n0.419799 0.372684 0.615940 F\n0.419799 0.872684 0.884060 F\n0.919799 0.127316 0.615940 F\n0.080201 0.372684 0.115940 F\n0.580201 0.627316 0.384060 F\n0.902264 0.195200 0.115201 F\n0.402264 0.804800 0.384799 F\n0.597736 0.695200 0.884799 F\n0.097736 0.304800 0.615201 F\n0.097736 0.804800 0.884799 F\n0.597736 0.195200 0.615201 F\n0.402264 0.304800 0.115201 F\n0.902264 0.695200 0.384799 F\n0.584792 0.858337 0.012804 F\n0.084792 0.141663 0.487196 F\n0.915208 0.358337 0.987196 F\n0.415208 0.641663 0.512804 F\n0.415208 0.141663 0.987196 F\n0.915208 0.858337 0.512804 F\n0.084792 0.641663 0.012804 F\n0.584792 0.358337 0.487196 F\n0.521024 0.585497 0.168994 F\n0.021024 0.414503 0.331006 F\n0.749676 0.013027 0.274078 F\n0.478976 0.914503 0.668994 F\n0.478976 0.414503 0.831006 F\n0.978976 0.585497 0.668994 F\n0.021024 0.914503 0.168994 F\n0.521024 0.085497 0.331006 F\n0.718146 0.569275 0.061267 F\n0.218146 0.430725 0.438733 F\n0.715283 0.246392 0.320868 F\n0.281854 0.930725 0.561267 F\n0.281854 0.430725 0.938733 F\n0.781854 0.569275 0.561267 F\n0.218146 0.930725 0.061267 F\n0.718146 0.069275 0.438733 F\n0.715283 0.746392 0.179132 F\n0.215283 0.253608 0.320868 F\n0.784717 0.246392 0.820868 F\n0.284717 0.753608 0.679132 F\n0.284717 0.253608 0.820868 F\n0.784717 0.746392 0.679132 F\n0.215283 0.753608 0.179132 F\n0.781854 0.069275 0.938733 F\n",
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{
"id": "mp-4575",
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"structure_string": "Mg16 Ge16 O48\n1.0\n5.420146 0.000000 0.000000\n0.000000 9.074987 0.000000\n0.000000 0.000000 19.074424\nMg Ge O\n16 16 48\ndirect\n0.647363 0.655740 0.123465 Mg\n0.147363 0.344260 0.376535 Mg\n0.852637 0.155740 0.876535 Mg\n0.352637 0.844260 0.623465 Mg\n0.352637 0.344260 0.876535 Mg\n0.852637 0.655740 0.623465 Mg\n0.147363 0.844260 0.123465 Mg\n0.647363 0.155740 0.376535 Mg\n0.655237 0.511628 0.377712 Mg\n0.155237 0.488372 0.122288 Mg\n0.844763 0.011628 0.622288 Mg\n0.344763 0.988372 0.877712 Mg\n0.344763 0.488372 0.622288 Mg\n0.844763 0.511628 0.877712 Mg\n0.155237 0.988372 0.377712 Mg\n0.655237 0.011628 0.122288 Mg\n0.956852 0.654909 0.270737 Ge\n0.456852 0.345091 0.229263 Ge\n0.543148 0.154909 0.729263 Ge\n0.043148 0.845091 0.770737 Ge\n0.043148 0.345091 0.729263 Ge\n0.543148 0.654909 0.770737 Ge\n0.456852 0.845091 0.270737 Ge\n0.956852 0.154909 0.229263 Ge\n0.194828 0.660113 0.472637 Ge\n0.694828 0.339887 0.027363 Ge\n0.305172 0.160113 0.527363 Ge\n0.805172 0.839887 0.972637 Ge\n0.805172 0.339887 0.527363 Ge\n0.305172 0.660113 0.972637 Ge\n0.694828 0.839887 0.472637 Ge\n0.194828 0.160113 0.027363 Ge\n0.372531 0.321805 0.055144 O\n0.872531 0.678195 0.444856 O\n0.127469 0.821805 0.944856 O\n0.627469 0.178195 0.555144 O\n0.627469 0.678195 0.944856 O\n0.127469 0.321805 0.555144 O\n0.872531 0.178195 0.055144 O\n0.372531 0.821805 0.444856 O\n0.328415 0.012737 0.070006 O\n0.828415 0.987263 0.429994 O\n0.171585 0.512737 0.929994 O\n0.671585 0.487263 0.570006 O\n0.671585 0.987263 0.929994 O\n0.171585 0.012737 0.570006 O\n0.828415 0.487263 0.070006 O\n0.328415 0.512737 0.429994 O\n0.186769 0.161921 0.934891 O\n0.686769 0.838079 0.565109 O\n0.313231 0.661921 0.065109 O\n0.961800 0.986684 0.186723 O\n0.813231 0.338079 0.434891 O\n0.313231 0.161921 0.434891 O\n0.686769 0.338079 0.934891 O\n0.186769 0.661921 0.565109 O\n0.158630 0.291717 0.193289 O\n0.658630 0.708283 0.306711 O\n0.341370 0.791717 0.806711 O\n0.841370 0.208283 0.693289 O\n0.841370 0.708283 0.806711 O\n0.341370 0.291717 0.693289 O\n0.658630 0.208283 0.193289 O\n0.158630 0.791717 0.306711 O\n0.976901 0.659693 0.179029 O\n0.476901 0.340307 0.320971 O\n0.523099 0.159693 0.820971 O\n0.023099 0.840307 0.679029 O\n0.023099 0.340307 0.820971 O\n0.523099 0.659693 0.679029 O\n0.476901 0.840307 0.179029 O\n0.976901 0.159693 0.320971 O\n0.961800 0.486684 0.313277 O\n0.461800 0.513316 0.186723 O\n0.538200 0.986684 0.686723 O\n0.038200 0.013316 0.813277 O\n0.038200 0.513316 0.686723 O\n0.538200 0.486684 0.813277 O\n0.461800 0.013316 0.313277 O\n0.813231 0.838079 0.065109 O\n",
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{
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"structure_string": "Y3 Si1 S2\n1.0\n-2.011604 2.816365 5.983899\n2.011604 -2.816365 5.983899\n2.011604 2.816365 -5.983899\nY Si S\n3 1 2\ndirect\n0.835258 0.335258 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.164742 0.664742 0.500000 Y\n0.000000 0.000000 0.000000 Si\n0.666577 0.666577 0.000000 S\n0.333423 0.333423 0.000000 S\n",
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{
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