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{
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{
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{
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{
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"structure_string": "Na4 Se2 O8\n1.0\n0.000000 5.171275 6.393542\n3.100602 0.000000 6.393542\n3.100602 5.171275 0.000000\nNa Se O\n4 2 8\ndirect\n0.185091 0.814909 0.185091 Na\n0.435091 0.064909 0.435091 Na\n0.814909 0.185091 0.814909 Na\n0.064909 0.435091 0.064909 Na\n0.750000 0.750000 0.750000 Se\n0.500000 0.500000 0.500000 Se\n0.930784 0.424230 0.765347 O\n0.765347 0.879639 0.930784 O\n0.370361 0.484653 0.825770 O\n0.319216 0.825770 0.484653 O\n0.825770 0.319216 0.370361 O\n0.424230 0.930784 0.879639 O\n0.879639 0.765347 0.424230 O\n0.484653 0.370361 0.319216 O\n",
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{
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{
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"created_at": "2022-09-04T14:47:46.555825Z",
"structure_string": "Yb16 Ti8 O40\n1.0\n3.656122 6.439722 0.000000\n-3.656122 6.439722 0.000000\n0.000000 1.276872 18.032486\nYb Ti O\n16 8 40\ndirect\n0.983338 0.983338 0.001798 Yb\n0.141614 0.141614 0.169664 Yb\n0.994389 0.483162 0.989207 Yb\n0.357699 0.357699 0.340246 Yb\n0.658929 0.144626 0.166469 Yb\n0.144626 0.658929 0.166469 Yb\n0.524766 0.524766 0.504392 Yb\n0.317787 0.878088 0.340398 Yb\n0.037771 0.515713 0.504411 Yb\n0.483162 0.994389 0.989207 Yb\n0.515713 0.037771 0.504411 Yb\n0.157828 0.686285 0.673810 Yb\n0.686285 0.157828 0.673810 Yb\n0.306692 0.821964 0.838924 Yb\n0.878088 0.317787 0.340398 Yb\n0.821964 0.306692 0.838924 Yb\n0.490078 0.490078 0.977641 Ti\n0.698862 0.698862 0.655764 Ti\n0.666845 0.666845 0.168314 Ti\n0.847010 0.847010 0.820771 Ti\n0.775710 0.775710 0.326587 Ti\n0.048194 0.048194 0.539166 Ti\n0.202391 0.202391 0.667951 Ti\n0.324105 0.324105 0.816014 Ti\n0.298640 0.298640 0.230052 O\n0.600528 0.209014 0.030502 O\n0.781994 0.386669 0.196684 O\n0.209014 0.600528 0.030502 O\n0.045111 0.449279 0.112018 O\n0.628594 0.628594 0.326113 O\n0.985086 0.542676 0.376374 O\n0.684978 0.684978 0.555086 O\n0.386669 0.781994 0.196684 O\n0.697755 0.697755 0.065721 O\n0.449279 0.045111 0.112018 O\n0.162205 0.716272 0.294852 O\n0.149918 0.741993 0.548450 O\n0.792754 0.792754 0.219162 O\n0.542676 0.985086 0.376374 O\n0.962443 0.962443 0.876349 O\n0.045611 0.045611 0.652448 O\n0.278467 0.878143 0.464631 O\n0.472988 0.678044 0.713639 O\n0.716272 0.162205 0.294852 O\n0.990150 0.990150 0.121924 O\n0.741993 0.149918 0.548450 O\n0.954538 0.954538 0.322196 O\n0.622497 0.825871 0.875118 O\n0.492455 0.000834 0.640161 O\n0.878143 0.278467 0.464631 O\n0.170355 0.170355 0.774101 O\n0.191358 0.191358 0.552987 O\n0.678044 0.472988 0.713639 O\n0.246052 0.246052 0.906657 O\n0.624462 0.146852 0.800747 O\n0.000834 0.492455 0.640161 O\n0.825871 0.622497 0.875118 O\n0.374366 0.374366 0.455966 O\n0.345492 0.345492 0.701198 O\n0.794448 0.345303 0.968936 O\n0.146852 0.624462 0.800747 O\n0.468886 0.468886 0.880355 O\n0.345303 0.794448 0.968936 O\n0.819738 0.819738 0.717376 O\n",
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{
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"formula_full": "Hg2 Sb8 C4 O4 F44",
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"spacegroup": 14
},
{
"id": "mp-758188",
"created_at": "2022-09-04T14:47:46.573881Z",
"structure_string": "Li8 Cr4 Si4 O16\n1.0\n5.013185 0.000000 0.000000\n0.000000 6.577247 0.000000\n0.000000 0.000000 10.544882\nLi Cr Si O\n8 4 4 16\ndirect\n0.182085 0.501968 0.589629 Li\n0.317915 0.501968 0.089629 Li\n0.317915 0.998032 0.089629 Li\n0.182085 0.998032 0.589629 Li\n0.682085 0.001968 0.910371 Li\n0.817915 0.001968 0.410371 Li\n0.817915 0.498032 0.410371 Li\n0.682085 0.498032 0.910371 Li\n0.192734 0.750000 0.851384 Cr\n0.307266 0.750000 0.351384 Cr\n0.692734 0.250000 0.648616 Cr\n0.807266 0.250000 0.148616 Cr\n0.669168 0.750000 0.667627 Si\n0.830832 0.750000 0.167627 Si\n0.330832 0.250000 0.332373 Si\n0.169168 0.250000 0.832373 Si\n0.781037 0.542502 0.596822 O\n0.718963 0.542502 0.096822 O\n0.341023 0.750000 0.659862 O\n0.737919 0.750000 0.318698 O\n0.762081 0.750000 0.818698 O\n0.158977 0.750000 0.159862 O\n0.718963 0.957498 0.096822 O\n0.781037 0.957498 0.596822 O\n0.218963 0.042502 0.403178 O\n0.281037 0.042502 0.903178 O\n0.658977 0.250000 0.340138 O\n0.841023 0.250000 0.840138 O\n0.262081 0.250000 0.681302 O\n0.237919 0.250000 0.181302 O\n0.218963 0.457498 0.403178 O\n0.281037 0.457498 0.903178 O\n",
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"formula_full": "Li8 Cr4 Si4 O16",
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"spacegroup": 62
},
{
"id": "mp-1039259",
"created_at": "2022-09-04T14:47:46.582749Z",
"structure_string": "Ce8 Mg4\n1.0\n3.239146 0.000000 0.000000\n0.000000 17.740525 0.000000\n0.000000 0.000000 5.664767\nCe Mg\n8 4\ndirect\n0.000000 0.565455 0.250000 Ce\n0.500000 0.722615 0.250000 Ce\n0.000000 0.777385 0.750000 Ce\n0.500000 0.934545 0.750000 Ce\n0.500000 0.065455 0.250000 Ce\n0.000000 0.222615 0.250000 Ce\n0.500000 0.277385 0.750000 Ce\n0.000000 0.434545 0.750000 Ce\n0.000000 0.887437 0.250000 Mg\n0.500000 0.612563 0.750000 Mg\n0.500000 0.387437 0.250000 Mg\n0.000000 0.112563 0.750000 Mg\n",
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"formula_full": "Ce8 Mg4",
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{
"id": "mp-774262",
"created_at": "2022-09-04T14:47:46.585383Z",
"structure_string": "Li6 Cr3 Cu1 P6 O24\n1.0\n8.509078 0.000000 0.000000\n4.061056 7.511505 0.000000\n4.068682 2.446506 7.110353\nLi Cr Cu P O\n6 3 1 6 24\ndirect\n0.020684 0.999225 0.989068 Li\n0.756347 0.144641 0.349407 Li\n0.475422 0.509266 0.499575 Li\n0.215294 0.850103 0.661600 Li\n0.665761 0.210634 0.849036 Li\n0.847885 0.668002 0.209936 Li\n0.139769 0.143825 0.137987 Cr\n0.360029 0.361875 0.355897 Cr\n0.642328 0.645620 0.645224 Cr\n0.853638 0.850894 0.848681 Cu\n0.049549 0.750358 0.452301 P\n0.450733 0.050908 0.751159 P\n0.750493 0.456517 0.046612 P\n0.253723 0.538005 0.959245 P\n0.540732 0.964073 0.253651 P\n0.956346 0.252879 0.534439 P\n0.118859 0.316586 0.481003 O\n0.330411 0.494308 0.108623 O\n0.041409 0.924807 0.270344 O\n0.523267 0.112662 0.319041 O\n0.243855 0.597886 0.416751 O\n0.035393 0.797205 0.613994 O\n0.261773 0.062338 0.913567 O\n0.436352 0.240785 0.586091 O\n0.598110 0.422837 0.245441 O\n0.200338 0.377987 0.987739 O\n0.082936 0.726547 0.960881 O\n0.366296 0.004521 0.215261 O\n0.614087 0.029846 0.801553 O\n0.908471 0.261171 0.063962 O\n0.803810 0.615344 0.027736 O\n0.400934 0.580144 0.756948 O\n0.577462 0.762592 0.402981 O\n0.725557 0.958797 0.078815 O\n0.965034 0.206487 0.377019 O\n0.758470 0.402947 0.582484 O\n0.490886 0.887045 0.694156 O\n0.961383 0.079406 0.720993 O\n0.692094 0.497196 0.884977 O\n0.884079 0.692731 0.496821 O\n",
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]
}