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{
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{
"id": "mp-1016319",
"created_at": "2022-09-04T14:47:10.157688Z",
"structure_string": "Mg7 Si1\n1.0\n3.131568 -5.424034 0.000000\n3.131568 5.424034 0.000000\n0.000000 0.000000 4.999349\nMg Si\n7 1\ndirect\n0.833648 0.667296 0.000000 Mg\n0.332704 0.166352 0.000000 Mg\n0.833648 0.166352 0.000000 Mg\n0.497436 0.502564 0.500000 Mg\n0.005128 0.502564 0.500000 Mg\n0.497436 0.994872 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.000000 Si\n",
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{
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0.416663 C\n0.878325 0.548915 0.943222 C\n0.378325 0.048915 0.556778 C\n0.121675 0.451085 0.056778 C\n0.621675 0.951085 0.443222 C\n0.039144 0.605184 0.900950 C\n0.539144 0.105184 0.599050 C\n0.960856 0.394816 0.099050 C\n0.460856 0.894816 0.400950 C\n0.926994 0.637391 0.781245 C\n0.426994 0.137391 0.718755 C\n0.073006 0.362609 0.218755 C\n0.573006 0.862609 0.281245 C\n0.720141 0.623948 0.816701 C\n0.220141 0.123948 0.683299 C\n0.279859 0.376052 0.183299 C\n0.779859 0.876052 0.316701 C\n0.704727 0.583202 0.958336 C\n0.204727 0.083202 0.541664 C\n0.295273 0.416798 0.041664 C\n0.795273 0.916798 0.458336 C\n0.901795 0.571641 0.010291 C\n0.401795 0.071641 0.489709 C\n0.098205 0.428359 0.989709 C\n0.598205 0.928359 0.510291 C\n0.076378 0.662497 0.854039 C\n0.576378 0.162497 0.645961 C\n0.923622 0.337503 0.145961 C\n0.423622 0.837503 0.354039 C\n0.858855 0.687881 0.752436 C\n0.358855 0.187881 0.747564 C\n0.141145 0.312119 0.247564 C\n0.641145 0.812119 0.252436 C\n0.644119 0.653467 0.860017 C\n0.144119 0.153467 0.639983 C\n0.355881 0.346533 0.139983 C\n0.855881 0.846533 0.360017 C\n0.729145 0.606847 0.028064 C\n0.229145 0.106847 0.471936 C\n0.270855 0.393153 0.971936 C\n0.770855 0.893153 0.528064 C\n0.996266 0.612445 0.024356 C\n0.496266 0.112445 0.475644 C\n0.003734 0.387555 0.975644 C\n0.503734 0.887555 0.524356 C\n0.021516 0.678259 0.795266 C\n0.521516 0.178259 0.704734 C\n0.978484 0.321741 0.204734 C\n0.478484 0.821741 0.295266 C\n0.757459 0.681188 0.769847 C\n0.257459 0.181188 0.730153 C\n0.242541 0.318812 0.230153 C\n0.742541 0.818812 0.269847 C\n0.636562 0.633510 0.929314 C\n0.136562 0.133510 0.570686 C\n0.363438 0.366490 0.070686 C\n0.863438 0.866490 0.429314 C\n0.825830 0.601149 0.053617 C\n0.325830 0.101149 0.446383 C\n0.174170 0.398851 0.946383 C\n0.674170 0.898851 0.553617 C\n0.063470 0.628937 0.970690 C\n0.563470 0.128937 0.529310 C\n0.936530 0.371063 0.029310 C\n0.436530 0.871063 0.470690 C\n0.123845 0.721632 0.894806 C\n0.623845 0.221632 0.605194 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C\n0.098982 0.753553 0.016903 C\n0.598982 0.253553 0.483097 C\n0.901018 0.246447 0.983097 C\n0.401018 0.746447 0.516903 C\n0.822244 0.722820 0.108013 C\n0.322244 0.222821 0.391987 C\n0.177756 0.277180 0.891987 C\n0.677756 0.777180 0.608013 C\n0.609828 0.761107 0.961794 C\n0.109828 0.261107 0.538206 C\n0.390172 0.238893 0.038206 C\n0.890172 0.738893 0.461794 C\n0.669789 0.853865 0.885984 C\n0.169789 0.353865 0.614016 C\n0.330211 0.146135 0.114016 C\n0.830211 0.646135 0.385984 C\n0.907630 0.881379 0.803305 C\n0.407630 0.381379 0.696695 C\n0.092370 0.118621 0.196695 C\n0.592370 0.618621 0.303305 C\n0.096845 0.849183 0.927363 C\n0.596845 0.349183 0.572637 C\n0.903155 0.150817 0.072637 C\n0.403155 0.650817 0.427363 C\n0.975725 0.801402 0.086734 C\n0.475725 0.301402 0.413266 C\n0.024275 0.198598 0.913266 C\n0.524275 0.698598 0.586734 C\n0.711809 0.804414 0.061395 C\n0.211809 0.304414 0.438605 C\n0.288191 0.195586 0.938605 C\n0.788191 0.695586 0.561395 C\n0.737138 0.870237 0.832421 C\n0.237138 0.370237 0.667579 C\n0.262862 0.129763 0.167579 C\n0.762862 0.629763 0.332421 C\n0.004322 0.875769 0.828765 C\n0.504322 0.375769 0.671235 C\n0.995678 0.124231 0.171235 C\n0.495678 0.624231 0.328765 C\n0.089119 0.829208 0.996685 C\n0.589119 0.329208 0.503315 C\n0.910881 0.170792 0.003315 C\n0.410881 0.670792 0.496685 C\n0.874397 0.794756 0.104178 C\n0.374397 0.294756 0.395822 C\n0.125603 0.205244 0.895822 C\n0.625603 0.705244 0.604178 C\n0.656870 0.820248 0.002696 C\n0.156870 0.320248 0.497304 C\n0.343130 0.179752 0.997304 C\n0.843130 0.679752 0.502696 C\n0.831574 0.910982 0.846520 C\n0.331574 0.410982 0.653480 C\n0.168426 0.089018 0.153480 C\n0.668426 0.589018 0.346520 C\n0.028531 0.899430 0.898521 C\n0.528531 0.399430 0.601479 C\n0.971469 0.100570 0.101479 C\n0.471469 0.600570 0.398521 C\n0.012976 0.858647 0.039894 C\n0.512976 0.358647 0.460106 C\n0.987024 0.141353 0.960106 C\n0.487024 0.641353 0.539894 C\n0.806202 0.845279 0.075442 C\n0.306202 0.345279 0.424558 C\n0.193798 0.154721 0.924558 C\n0.693798 0.654721 0.575442 C\n0.693908 0.877660 0.955790 C\n0.193908 0.377660 0.544210 C\n0.306092 0.122340 0.044210 C\n0.806092 0.622340 0.455790 C\n0.854849 0.933768 0.913608 C\n0.354849 0.433768 0.586392 C\n0.145151 0.066232 0.086392 C\n0.645151 0.566232 0.413608 C\n0.955342 0.927811 0.940084 C\n0.455342 0.427811 0.559916 C\n0.044658 0.072189 0.059916 C\n0.544658 0.572189 0.440084 C\n0.947362 0.907148 0.012146 C\n0.447362 0.407148 0.487854 C\n0.052638 0.092852 0.987854 C\n0.552638 0.592852 0.512146 C\n0.842006 0.900358 0.030341 C\n0.342006 0.400358 0.469659 C\n0.157994 0.099642 0.969659 C\n0.657994 0.599642 0.530341 C\n0.784871 0.917056 0.969352 C\n0.284871 0.417056 0.530648 C\n0.215129 0.082944 0.030648 C\n0.715129 0.582944 0.469352 C\n0.008861 0.929721 0.223451 Cl\n0.508861 0.429721 0.276549 Cl\n0.991139 0.070279 0.776549 Cl\n0.491139 0.570279 0.723451 Cl\n0.237206 0.976227 0.311866 Cl\n0.737206 0.476227 0.188134 Cl\n0.762794 0.023773 0.688134 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Cl\n0.979399 0.411889 0.735702 Cl\n0.743543 0.013384 0.174353 Cl\n0.243543 0.513384 0.325647 Cl\n0.256457 0.986616 0.825647 Cl\n0.756457 0.486616 0.674353 Cl\n0.507938 0.955937 0.099857 Cl\n0.007938 0.455937 0.400143 Cl\n0.492062 0.044063 0.900143 Cl\n0.992062 0.544063 0.599857 Cl\n",
"nsites": 300,
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"elements": [
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],
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"density_atomic": 0.06290561958863433,
"volume": 4769.049283066014,
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"formula_full": "Ti12 C240 Cl48",
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"updated_at": "2021-11-28T01:37:54.104000Z",
"spacegroup": 14
},
{
"id": "mp-1220010",
"created_at": "2022-09-04T14:47:08.064922Z",
"structure_string": "Pr1 Ga3 Ni1\n1.0\n4.184012 0.000000 0.000000\n0.000000 4.184012 0.000000\n2.092006 2.092006 5.259671\nPr Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.380123 0.380123 0.239754 Ga\n0.619877 0.619877 0.760246 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
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"density": 7.371973127906465,
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"formula_full": "Pr1 Ga3 Ni1",
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"spacegroup": 119
},
{
"id": "mp-530539",
"created_at": "2022-09-04T14:47:08.072830Z",
"structure_string": "Sr16 U8 O36\n1.0\n-8.701604 0.000000 0.000000\n4.183789 9.688021 0.000000\n-0.210887 -3.818375 -11.640155\nSr U O\n16 8 36\ndirect\n0.335872 0.669357 0.164661 Sr\n0.440887 0.355246 0.101373 Sr\n0.715849 0.984561 0.239772 Sr\n0.664128 0.330643 0.835339 Sr\n0.962081 0.348884 0.090155 Sr\n0.779338 0.018986 0.770512 Sr\n0.000000 0.000000 0.000000 Sr\n0.220662 0.981014 0.229488 Sr\n0.037919 0.651116 0.909845 Sr\n0.000000 0.000000 0.500000 Sr\n0.284151 0.015439 0.760228 Sr\n0.111485 0.688114 0.435163 Sr\n0.559113 0.644754 0.898627 Sr\n0.375098 0.318321 0.573074 Sr\n0.624902 0.681679 0.426926 Sr\n0.888515 0.311886 0.564837 Sr\n0.169711 0.337826 0.335356 U\n0.666034 0.331216 0.332586 U\n0.832703 0.666244 0.170448 U\n0.500000 0.000000 0.000000 U\n0.167297 0.333756 0.829552 U\n0.830289 0.662174 0.664644 U\n0.333966 0.668784 0.667414 U\n0.500000 0.000000 0.500000 U\n0.599435 0.660684 0.221528 O\n0.753011 0.438664 0.204286 O\n0.382690 0.886104 0.331350 O\n0.523489 0.133473 0.192753 O\n0.878630 0.266971 0.329071 O\n0.179512 0.509251 0.283139 O\n0.508984 0.831844 0.055981 O\n0.764258 0.082362 0.001037 O\n0.940310 0.340044 0.884007 O\n0.154833 0.222982 0.162153 O\n0.275474 0.444175 0.003777 O\n0.910507 0.878991 0.151377 O\n0.089493 0.121009 0.848623 O\n0.724526 0.555825 0.996223 O\n0.845167 0.777018 0.837847 O\n0.059690 0.659956 0.115993 O\n0.235742 0.917638 0.998963 O\n0.491016 0.168156 0.944019 O\n0.820488 0.490749 0.716861 O\n0.121370 0.733029 0.670929 O\n0.272720 0.003727 0.554725 O\n0.476511 0.866527 0.807247 O\n0.617310 0.113896 0.668650 O\n0.246989 0.561336 0.795714 O\n0.421487 0.777602 0.538729 O\n0.065654 0.230827 0.654701 O\n0.190690 0.467994 0.521120 O\n0.400565 0.339316 0.778472 O\n0.540943 0.596539 0.655446 O\n0.841556 0.834225 0.611723 O\n0.158444 0.165775 0.388277 O\n0.459057 0.403461 0.344554 O\n0.809310 0.532006 0.478880 O\n0.934346 0.769173 0.345299 O\n0.578513 0.222398 0.461271 O\n0.727280 0.996273 0.445275 O\n",
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"formula_full": "Sr16 U8 O36",
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