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{
"id": "mp-866669",
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"structure_string": "Sr34 Li12 Hg18\n1.0\n-8.333755 8.333755 8.333755\n8.333755 -8.333755 8.333755\n8.333755 8.333755 -8.333755\nSr Li Hg\n34 12 18\ndirect\n0.000000 0.000000 0.000000 Sr\n0.261073 0.448861 0.448861 Sr\n0.738927 0.187788 0.187788 Sr\n0.000000 0.500000 0.500000 Sr\n0.261073 0.812212 0.812212 Sr\n0.738927 0.551139 0.551139 Sr\n0.448861 0.261073 0.448861 Sr\n0.551139 0.551139 0.738927 Sr\n0.551139 0.812212 0.000000 Sr\n0.448861 0.000000 0.187788 Sr\n0.250000 0.500000 0.750000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.187788 0.448861 Sr\n0.000000 0.551139 0.812212 Sr\n0.187788 0.738927 0.187788 Sr\n0.812212 0.551139 0.000000 Sr\n0.187788 0.000000 0.448861 Sr\n0.812212 0.812212 0.261073 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.250000 0.750000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.750000 0.250000 Sr\n0.812212 0.261073 0.812212 Sr\n0.187788 0.448861 0.000000 Sr\n0.187788 0.187788 0.738927 Sr\n0.812212 0.000000 0.551139 Sr\n0.000000 0.448861 0.187788 Sr\n0.000000 0.812212 0.551139 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.500000 0.250000 Sr\n0.551139 0.738927 0.551139 Sr\n0.551139 0.000000 0.812212 Sr\n0.448861 0.187788 0.000000 Sr\n0.448861 0.448861 0.261073 Sr\n0.704075 0.852038 0.852038 Li\n0.295925 0.147962 0.147962 Li\n0.852038 0.704075 0.852038 Li\n0.147962 0.852038 0.000000 Li\n0.147962 0.147962 0.295925 Li\n0.852038 0.000000 0.147962 Li\n0.000000 0.852038 0.147962 Li\n0.000000 0.147962 0.852038 Li\n0.147962 0.295925 0.147962 Li\n0.852038 0.147962 0.000000 Li\n0.147962 0.000000 0.852038 Li\n0.852038 0.852038 0.704075 Li\n0.000000 0.231166 0.231166 Hg\n0.409357 0.704678 0.704678 Hg\n0.590643 0.295322 0.295322 Hg\n0.000000 0.768834 0.768834 Hg\n0.231166 0.000000 0.231166 Hg\n0.768834 0.768834 0.000000 Hg\n0.704678 0.409357 0.704678 Hg\n0.295322 0.295322 0.590643 Hg\n0.704678 0.000000 0.295322 Hg\n0.295322 0.704678 0.000000 Hg\n0.000000 0.295322 0.704678 Hg\n0.000000 0.704678 0.295322 Hg\n0.295322 0.590643 0.295322 Hg\n0.704678 0.295322 0.000000 Hg\n0.295322 0.000000 0.704678 Hg\n0.704678 0.704678 0.409357 Hg\n0.768834 0.000000 0.768834 Hg\n0.231166 0.231166 0.000000 Hg\n",
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"formula_full": "Sr34 Li12 Hg18",
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"spacegroup": 229
},
{
"id": "mp-1187207",
"created_at": "2022-09-04T14:39:31.074140Z",
"structure_string": "Sr1 Pr3\n1.0\n5.362739 0.000000 0.000000\n0.000000 5.362739 0.000000\n0.000000 0.000000 5.362739\nSr Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n",
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"formula_full": "Sr1 Pr3",
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{
"id": "mp-1098000",
"created_at": "2022-09-04T14:39:39.962133Z",
"structure_string": "Li4 Eu12 O16\n1.0\n3.455477 0.000000 0.000000\n0.000000 11.513083 0.000000\n0.000000 0.000000 11.740075\nLi Eu O\n4 12 16\ndirect\n0.750000 0.348371 0.594588 Li\n0.750000 0.848371 0.905412 Li\n0.250000 0.651629 0.405412 Li\n0.250000 0.151629 0.094588 Li\n0.750000 0.141154 0.295756 Eu\n0.750000 0.641154 0.204244 Eu\n0.250000 0.858846 0.704244 Eu\n0.250000 0.358846 0.795756 Eu\n0.750000 0.101971 0.888930 Eu\n0.750000 0.601971 0.611070 Eu\n0.250000 0.898029 0.111070 Eu\n0.250000 0.398029 0.388930 Eu\n0.750000 0.368769 0.072723 Eu\n0.750000 0.868769 0.427277 Eu\n0.250000 0.631231 0.927277 Eu\n0.250000 0.131231 0.572723 Eu\n0.750000 0.260554 0.458834 O\n0.750000 0.760554 0.041166 O\n0.250000 0.739446 0.541166 O\n0.250000 0.239446 0.958834 O\n0.750000 0.052624 0.105638 O\n0.750000 0.552624 0.394362 O\n0.250000 0.947376 0.894362 O\n0.250000 0.447376 0.605638 O\n0.750000 0.479620 0.883266 O\n0.750000 0.979620 0.616734 O\n0.250000 0.520380 0.116734 O\n0.250000 0.020380 0.383266 O\n0.750000 0.231945 0.717486 O\n0.750000 0.731945 0.782514 O\n0.250000 0.768055 0.282514 O\n0.250000 0.268055 0.217486 O\n",
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"formula_full": "Li4 Eu12 O16",
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"spacegroup": 62
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{
"id": "mp-773177",
"created_at": "2022-09-04T14:39:34.884894Z",
"structure_string": "Na12 Co4 As4 C4 O28\n1.0\n0.041346 6.861988 5.262899\n0.041420 -6.862583 5.263527\n9.113958 0.000240 -5.164505\nNa Co As C O\n12 4 4 4 28\ndirect\n0.546333 0.296339 0.080630 Na\n0.046364 0.796374 0.080619 Na\n0.953665 0.203647 0.919373 Na\n0.453673 0.703681 0.919380 Na\n0.257420 0.253090 0.259486 Na\n0.757347 0.753070 0.259467 Na\n0.503089 0.007407 0.259492 Na\n0.003091 0.507390 0.259474 Na\n0.996898 0.492546 0.740488 Na\n0.496876 0.992582 0.740529 Na\n0.242631 0.246940 0.740511 Na\n0.742655 0.746945 0.740549 Na\n0.437285 0.687250 0.341432 Co\n0.062699 0.812748 0.658568 Co\n0.937290 0.187253 0.341427 Co\n0.562708 0.312747 0.658576 Co\n0.684377 0.434356 0.417135 As\n0.184372 0.934355 0.417130 As\n0.815622 0.065640 0.582868 As\n0.315628 0.565643 0.582867 As\n0.768071 0.018069 0.058819 C\n0.268070 0.518067 0.058814 C\n0.731931 0.481932 0.941181 C\n0.231929 0.981934 0.941184 C\n0.311941 0.061944 0.082031 O\n0.811939 0.561946 0.082028 O\n0.188059 0.438051 0.917968 O\n0.688059 0.938056 0.917973 O\n0.909731 0.159647 0.119682 O\n0.409740 0.659635 0.119679 O\n0.590263 0.340359 0.880319 O\n0.090242 0.840381 0.880317 O\n0.709668 0.959743 0.143685 O\n0.209664 0.459754 0.143685 O\n0.790340 0.540249 0.856316 O\n0.290356 0.040234 0.856319 O\n0.536130 0.286142 0.446610 O\n0.036119 0.786149 0.446610 O\n0.963864 0.213850 0.553384 O\n0.463879 0.713856 0.553391 O\n0.660297 0.910272 0.416981 O\n0.160301 0.410272 0.416976 O\n0.839692 0.589729 0.583023 O\n0.339695 0.089725 0.583019 O\n0.569017 0.516120 0.306803 O\n0.069026 0.016128 0.306797 O\n0.766200 0.319129 0.306780 O\n0.266207 0.819130 0.306784 O\n0.733800 0.180872 0.693220 O\n0.233790 0.680869 0.693214 O\n0.930982 0.983880 0.693203 O\n0.430977 0.483874 0.693203 O\n",
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"formula_full": "Na12 Co4 As4 C4 O28",
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{
"id": "mp-1147698",
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"structure_string": "Li10 Zn1 P4 S16\n1.0\n6.528680 0.000000 0.000000\n0.075047 7.770303 0.000000\n0.018826 0.043598 12.366608\nLi Zn P S\n10 1 4 16\ndirect\n0.313694 0.235634 0.998541 Li\n0.688459 0.252931 0.749444 Li\n0.678095 0.260039 0.248203 Li\n0.686197 0.743822 0.748108 Li\n0.672046 0.749139 0.255034 Li\n0.314978 0.749440 0.002709 Li\n0.151900 0.986597 0.752049 Li\n0.148083 0.978595 0.260741 Li\n0.860349 0.535452 0.503250 Li\n0.857650 0.499255 0.005436 Li\n0.306478 0.253363 0.501702 Zn\n0.815311 0.011317 0.498431 P\n0.819389 0.997182 0.001584 P\n0.187344 0.491266 0.748834 P\n0.177334 0.501335 0.254575 P\n0.118117 0.006982 0.551285 S\n0.115133 0.994707 0.058732 S\n0.813841 0.995105 0.834831 S\n0.807031 0.007954 0.332250 S\n0.667403 0.238375 0.551025 S\n0.672012 0.217913 0.053001 S\n0.329485 0.269599 0.801777 S\n0.318107 0.270777 0.308694 S\n0.209219 0.516205 0.581227 S\n0.196977 0.492122 0.087953 S\n0.889108 0.495912 0.802485 S\n0.877298 0.500999 0.304924 S\n0.332028 0.705552 0.807938 S\n0.322434 0.703258 0.319722 S\n0.665881 0.804264 0.555287 S\n0.672528 0.781130 0.057523 S\n",
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{
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"structure_string": "Na1 Eu1 Ti8 P12 O48\n1.0\n-4.266330 -7.383542 0.002379\n8.532226 -4.924561 7.335854\n-4.268248 2.459895 7.337231\nNa Eu Ti P O\n1 1 8 12 48\ndirect\n0.999678 0.999782 0.000106 Na\n0.500174 0.500038 0.499979 Eu\n0.000602 0.361413 0.724310 Ti\n0.499618 0.862843 0.225172 Ti\n0.999511 0.638489 0.275759 Ti\n0.500346 0.137198 0.774925 Ti\n0.499214 0.349147 0.199673 Ti\n0.000786 0.855791 0.709733 Ti\n0.500721 0.650884 0.800319 Ti\n0.999281 0.144206 0.289974 Ti\n0.214057 0.243475 0.996763 P\n0.716890 0.744368 0.498638 P\n0.638608 0.391087 0.848916 P\n0.136087 0.891351 0.352156 P\n0.146626 0.607155 0.635557 P\n0.648097 0.105927 0.133857 P\n0.785867 0.756591 0.003352 P\n0.283002 0.255687 0.501386 P\n0.361628 0.608949 0.151149 P\n0.863841 0.108658 0.647545 P\n0.853394 0.392741 0.364425 P\n0.351836 0.894090 0.866252 P\n0.953974 0.484699 0.289271 O\n0.454946 0.984290 0.790022 O\n0.862899 0.666996 0.106989 O\n0.362407 0.167634 0.605282 O\n0.182296 0.621144 0.151222 O\n0.683303 0.122359 0.652174 O\n0.046089 0.515281 0.710810 O\n0.545172 0.015709 0.210105 O\n0.137137 0.333002 0.893124 O\n0.637591 0.832426 0.394863 O\n0.817869 0.378898 0.848830 O\n0.316486 0.877682 0.347875 O\n0.913133 0.822757 0.917205 O\n0.415041 0.324134 0.418199 O\n0.406069 0.501575 0.241790 O\n0.908098 0.002199 0.736906 O\n0.677440 0.417370 0.325330 O\n0.179082 0.914942 0.825702 O\n0.086910 0.177292 0.082852 O\n0.584885 0.675919 0.581886 O\n0.594056 0.498416 0.758255 O\n0.091717 0.997746 0.262847 O\n0.322609 0.582657 0.674599 O\n0.820891 0.085131 0.174086 O\n0.314207 0.303959 0.114014 O\n0.815611 0.800284 0.617471 O\n0.586836 0.401079 0.015563 O\n0.086995 0.900026 0.519520 O\n0.100773 0.715610 0.702545 O\n0.596803 0.214972 0.202288 O\n0.685713 0.696069 0.886063 O\n0.184337 0.199671 0.382683 O\n0.413290 0.598929 0.984485 O\n0.912757 0.099974 0.480204 O\n0.899309 0.284389 0.297240 O\n0.403151 0.785039 0.797832 O\n0.630045 0.115043 0.961399 O\n0.135631 0.610998 0.461906 O\n0.318274 0.167026 0.909161 O\n0.813228 0.662474 0.410968 O\n0.551901 0.299045 0.773614 O\n0.051500 0.795205 0.282688 O\n0.369860 0.884977 0.038557 O\n0.864339 0.388835 0.538064 O\n0.681863 0.833120 0.090866 O\n0.186742 0.337559 0.589075 O\n0.448324 0.700912 0.226419 O\n0.948550 0.204677 0.717209 O\n",
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{
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{
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"structure_string": "Mg2 Bi4\n1.0\n1.789610 -8.406403 0.000000\n1.789610 8.406403 0.000000\n0.000000 0.000000 5.890664\nMg Bi\n2 4\ndirect\n0.885798 0.114202 0.250000 Mg\n0.114202 0.885798 0.750000 Mg\n0.545027 0.454973 0.250000 Bi\n0.232346 0.767654 0.250000 Bi\n0.767654 0.232346 0.750000 Bi\n0.454973 0.545027 0.750000 Bi\n",
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