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{
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{
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{
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"structure_string": "Y1 Al4 Fe8\n1.0\n-4.245787 4.245787 2.470069\n4.245787 -4.245787 2.470069\n4.245787 4.245787 -2.470069\nY Al Fe\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.345095 0.000000 0.345095 Al\n0.654905 0.000000 0.654905 Al\n0.000000 0.345095 0.345095 Al\n0.000000 0.654905 0.654905 Al\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.267196 0.500000 0.767196 Fe\n0.732804 0.500000 0.232804 Fe\n0.500000 0.267196 0.767196 Fe\n0.500000 0.732804 0.232804 Fe\n",
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{
"id": "mp-1216210",
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"structure_string": "Y1 Al6 Cu6\n1.0\n-2.543771 4.289543 4.345383\n2.543771 -4.289543 4.345383\n2.543771 4.289543 -4.345383\nY Al Cu\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.349062 0.349062 0.000000 Al\n0.650938 0.650938 0.000000 Al\n0.653872 0.000000 0.653872 Al\n0.346128 0.000000 0.346128 Al\n0.796506 0.296506 0.500000 Al\n0.203494 0.703494 0.500000 Al\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.228332 0.500000 0.728332 Cu\n0.771668 0.500000 0.271668 Cu\n",
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},
{
"id": "mp-1216148",
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"structure_string": "Y1 Al6 Fe6\n1.0\n0.000000 0.000000 5.011178\n-4.249660 4.321763 2.505589\n-4.249660 -4.321763 -2.505589\nY Al Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.653651 0.346349 0.653651 Al\n0.346349 0.653651 0.346349 Al\n0.000000 0.337293 0.337293 Al\n0.000000 0.662707 0.662707 Al\n0.692143 0.807857 0.192143 Al\n0.307857 0.192143 0.807857 Al\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.759797 0.759797 Fe\n0.500000 0.240203 0.240203 Fe\n",
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"formula_full": "Y1 Al6 Fe6",
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"spacegroup": 71
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{
"id": "mp-677127",
"created_at": "2022-09-04T14:42:11.233707Z",
"structure_string": "Y1 Al6 Si18 N30 O2\n1.0\n-7.939998 0.000000 0.000000\n3.930394 6.900101 0.000000\n-0.007598 -0.094182 -11.438932\nY Al Si N O\n1 6 18 30 2\ndirect\n0.670227 0.322546 0.132192 Y\n0.162929 0.913488 0.994288 Al\n0.487760 0.903412 0.144449 Al\n0.253053 0.082462 0.253349 Al\n0.573317 0.086553 0.398902 Al\n0.913798 0.164249 0.744187 Al\n0.914854 0.166377 0.250430 Al\n0.159486 0.910215 0.495084 Si\n0.492684 0.909868 0.644444 Si\n0.081062 0.564954 0.643278 Si\n0.086071 0.569143 0.142206 Si\n0.742498 0.836423 0.994464 Si\n0.747741 0.834833 0.502837 Si\n0.834668 0.739515 0.747949 Si\n0.827283 0.745383 0.249273 Si\n0.429184 0.513432 0.641424 Si\n0.423537 0.515104 0.144060 Si\n0.081403 0.258426 0.996922 Si\n0.091756 0.261385 0.497963 Si\n0.510318 0.430225 0.890279 Si\n0.522001 0.439229 0.395456 Si\n0.924242 0.487038 0.892774 Si\n0.919432 0.486594 0.399133 Si\n0.253390 0.086875 0.751361 Si\n0.565913 0.075111 0.885572 Si\n0.613667 0.949688 0.514794 N\n0.608320 0.955492 0.998321 N\n0.042942 0.660433 0.511964 N\n0.030256 0.645342 0.012463 N\n0.989850 0.006751 0.001067 N\n0.005367 0.986246 0.748809 N\n0.000837 0.003986 0.501761 N\n0.331208 0.666944 0.669816 N\n0.321808 0.653928 0.177479 N\n0.680280 0.682727 0.627426 N\n0.674763 0.680105 0.122128 N\n0.686786 0.677270 0.874878 N\n0.687242 0.690256 0.376178 N\n0.015735 0.327312 0.620834 N\n0.993412 0.323710 0.118581 N\n0.349557 0.390535 0.506008 N\n0.345203 0.384910 0.008583 N\n0.418779 0.356629 0.251961 N\n0.390388 0.343272 0.754093 N\n0.952480 0.602003 0.757819 N\n0.936156 0.591910 0.253163 N\n0.665844 0.331239 0.922718 N\n0.674944 0.351238 0.425565 N\n0.325166 0.009422 0.869076 N\n0.312479 0.999335 0.384441 N\n0.003175 0.322563 0.876337 N\n0.007912 0.327805 0.379789 N\n0.645570 0.044638 0.753198 N\n0.654165 0.078430 0.248022 N\n0.992211 0.984264 0.241166 N\n0.311324 0.990335 0.626622 O\n0.330235 0.011777 0.119661 O\n",
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"formula_full": "Y1 Al6 Si18 N30 O2",
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{
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"structure_string": "Y1 Al6 Si30 N45 O3\n1.0\n-7.867781 0.000000 0.000000\n3.887835 6.857634 0.000000\n-0.029319 -0.080399 -17.126248\nY Al Si N O\n1 6 30 45 3\ndirect\n0.675955 0.346157 0.271620 Y\n0.096397 0.514794 0.282443 Al\n0.916040 0.432586 0.449393 Al\n0.925103 0.432202 0.107250 Al\n0.913509 0.747716 0.680288 Al\n0.922984 0.753910 0.349692 Al\n0.914069 0.748055 0.013047 Al\n0.169311 0.241074 0.848411 Si\n0.168729 0.241586 0.519489 Si\n0.170494 0.241828 0.181464 Si\n0.083189 0.517221 0.945167 Si\n0.087863 0.519290 0.616098 Si\n0.089007 0.828591 0.846799 Si\n0.088655 0.828133 0.514756 Si\n0.078837 0.822601 0.180300 Si\n0.486412 0.568521 0.944253 Si\n0.488764 0.568305 0.613065 Si\n0.486478 0.579826 0.279960 Si\n0.428865 0.918110 0.943389 Si\n0.431153 0.919404 0.612287 Si\n0.426383 0.914995 0.278672 Si\n0.252987 0.167707 0.682801 Si\n0.246806 0.172984 0.351426 Si\n0.248674 0.168157 0.014276 Si\n0.514550 0.084183 0.778584 Si\n0.513184 0.083541 0.448652 Si\n0.507816 0.079928 0.110347 Si\n0.744591 0.909515 0.847649 Si\n0.745529 0.910602 0.516644 Si\n0.747962 0.917508 0.179936 Si\n0.836514 0.088634 0.681999 Si\n0.831199 0.085431 0.350627 Si\n0.835618 0.089570 0.011548 Si\n0.568657 0.488117 0.777818 Si\n0.565359 0.489355 0.109368 Si\n0.563119 0.483942 0.447706 Si\n0.913603 0.433958 0.775815 Si\n0.006386 0.014041 0.681418 N\n0.003509 0.015482 0.347283 N\n0.309680 0.319879 0.932346 N\n0.316570 0.319238 0.600931 N\n0.324593 0.323624 0.266063 N\n0.007279 0.680588 0.926770 N\n0.006641 0.677340 0.594822 N\n0.983868 0.664799 0.259071 N\n0.331818 0.666421 0.958304 N\n0.335844 0.668001 0.627538 N\n0.347905 0.680497 0.302755 N\n0.998050 0.997701 0.183175 N\n0.608404 0.655128 0.521429 N\n0.609070 0.653819 0.853970 N\n0.609205 0.656833 0.188899 N\n0.347598 0.961296 0.853836 N\n0.346638 0.959075 0.522489 N\n0.344047 0.959199 0.189839 N\n0.391375 0.046520 0.688357 N\n0.401375 0.062835 0.352546 N\n0.391988 0.049825 0.019971 N\n0.318471 0.312627 0.768222 N\n0.308891 0.318520 0.435212 N\n0.316424 0.312962 0.100361 N\n0.677419 0.989382 0.932266 N\n0.681782 0.995860 0.600549 N\n0.681170 0.010307 0.264249 N\n0.690503 0.009443 0.766956 N\n0.689138 0.011578 0.099028 N\n0.683095 0.000573 0.434335 N\n0.667509 0.333867 0.796807 N\n0.652526 0.328815 0.466122 N\n0.656968 0.330451 0.136719 N\n0.997866 0.995511 0.847827 N\n0.003412 0.012955 0.014142 N\n0.643724 0.586840 0.352910 N\n0.643251 0.602788 0.688958 N\n0.640699 0.600163 0.020938 N\n0.954899 0.346860 0.687822 N\n0.925901 0.332844 0.350485 N\n0.951220 0.341100 0.011881 N\n0.006842 0.678322 0.767337 N\n0.009693 0.688616 0.098916 N\n0.015962 0.690811 0.433724 N\n0.998093 0.996584 0.516334 N\n0.044130 0.382873 0.851633 O\n0.048100 0.377519 0.528501 O\n0.052772 0.374985 0.187585 O\n",
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"formula_full": "Y1 Al6 Si30 N45 O3",
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{
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