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{
"id": "mp-1204649",
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"structure_string": "Ca16 P12 O58\n1.0\n6.871327 0.000000 0.000000\n-0.018585 9.633486 0.000000\n-0.711286 -3.487708 18.572928\nCa P O\n16 12 58\ndirect\n0.998519 0.720889 0.927932 Ca\n0.001481 0.279111 0.072068 Ca\n0.497520 0.735064 0.927369 Ca\n0.502480 0.264936 0.072631 Ca\n0.980315 0.668196 0.628084 Ca\n0.019685 0.331804 0.371916 Ca\n0.467888 0.460372 0.634648 Ca\n0.532112 0.539628 0.365352 Ca\n0.236547 0.341175 0.883688 Ca\n0.763453 0.658825 0.116312 Ca\n0.730667 0.458678 0.796599 Ca\n0.269333 0.541322 0.203401 Ca\n0.237513 0.923687 0.772880 Ca\n0.762487 0.076313 0.227120 Ca\n0.739194 0.089058 0.884576 Ca\n0.260806 0.910942 0.115424 Ca\n0.740892 0.404500 0.957314 P\n0.259108 0.595500 0.042686 P\n0.227510 0.569718 0.790369 P\n0.772490 0.430282 0.209631 P\n0.731046 0.772279 0.762191 P\n0.268954 0.227721 0.237809 P\n0.241796 0.015382 0.942011 P\n0.758204 0.984618 0.057989 P\n0.728177 0.367288 0.504460 P\n0.271823 0.632712 0.495540 P\n0.749537 0.170417 0.700872 P\n0.250463 0.829583 0.299128 P\n0.928445 0.319601 0.935676 O\n0.071555 0.680399 0.064324 O\n0.563118 0.309684 0.925569 O\n0.436882 0.690316 0.074431 O\n0.407177 0.484801 0.810129 O\n0.592823 0.515199 0.189871 O\n0.050370 0.502175 0.820727 O\n0.949630 0.497825 0.179273 O\n0.924799 0.827486 0.738376 O\n0.075201 0.172514 0.261624 O\n0.570286 0.883138 0.759338 O\n0.429714 0.116862 0.240662 O\n0.424482 0.998322 0.895188 O\n0.575518 0.001678 0.104812 O\n0.059689 0.000711 0.889568 O\n0.940311 0.999289 0.110432 O\n0.895487 0.256138 0.503319 O\n0.104513 0.743862 0.496681 O\n0.525338 0.313801 0.519728 O\n0.474662 0.686199 0.480272 O\n0.738176 0.545423 0.929091 O\n0.261824 0.454577 0.070909 O\n0.264551 0.568584 0.959003 O\n0.735449 0.431416 0.040997 O\n0.247858 0.723778 0.834167 O\n0.752142 0.276222 0.165833 O\n0.207312 0.568691 0.709070 O\n0.792688 0.431309 0.290930 O\n0.746661 0.750435 0.842120 O\n0.253339 0.249565 0.157880 O\n0.687437 0.625726 0.713471 O\n0.312563 0.374274 0.286529 O\n0.244868 0.159151 0.994776 O\n0.755132 0.840849 0.005224 O\n0.241744 0.891209 0.984778 O\n0.758256 0.108791 0.015222 O\n0.782991 0.489600 0.567524 O\n0.217009 0.510400 0.432476 O\n0.267873 0.584315 0.568721 O\n0.732127 0.415685 0.431279 O\n0.770442 0.194953 0.783828 O\n0.229558 0.805047 0.216172 O\n0.596853 0.051129 0.669492 O\n0.403147 0.948871 0.330508 O\n0.938094 0.111775 0.664304 O\n0.061906 0.888225 0.335696 O\n0.685634 0.313203 0.682159 O\n0.314366 0.686797 0.317841 O\n0.744777 0.815147 0.564962 O\n0.255223 0.184853 0.435038 O\n0.190978 0.876567 0.629751 O\n0.809022 0.123433 0.370249 O\n0.302039 0.205264 0.663208 O\n0.697961 0.794736 0.336792 O\n0.240685 0.169240 0.769028 O\n0.759315 0.830760 0.230972 O\n0.327729 0.019567 0.580752 O\n0.672271 0.980433 0.419248 O\n",
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"formula_full": "Ca16 P12 O58",
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{
"id": "mp-1202415",
"created_at": "2022-09-04T14:48:27.170478Z",
"structure_string": "Sb8 N8 F32\n1.0\n7.231050 0.000000 0.000000\n0.000000 8.657436 0.000000\n0.000000 4.677585 17.141158\nSb N F\n8 8 32\ndirect\n0.249205 0.679448 0.591151 Sb\n0.749205 0.320552 0.908849 Sb\n0.750795 0.320552 0.408849 Sb\n0.250795 0.679448 0.091151 Sb\n0.696752 0.803379 0.722346 Sb\n0.196752 0.196621 0.777654 Sb\n0.303248 0.196621 0.277654 Sb\n0.803248 0.803379 0.222346 Sb\n0.264443 0.634405 0.869036 N\n0.764443 0.365595 0.630964 N\n0.735557 0.365595 0.130964 N\n0.235557 0.634405 0.369036 N\n0.235789 0.167520 0.542672 N\n0.735789 0.832480 0.957328 N\n0.764211 0.832480 0.457328 N\n0.264211 0.167520 0.042672 N\n0.197057 0.828160 0.492450 F\n0.697057 0.171840 0.007550 F\n0.802943 0.171840 0.507550 F\n0.302943 0.828160 0.992450 F\n0.132931 0.500039 0.565588 F\n0.632931 0.499961 0.934412 F\n0.867069 0.499961 0.434412 F\n0.367069 0.500039 0.065588 F\n0.492894 0.626256 0.561988 F\n0.992894 0.373744 0.938012 F\n0.507106 0.373744 0.438012 F\n0.007106 0.626256 0.061988 F\n0.523745 0.896331 0.642973 F\n0.023745 0.103669 0.857027 F\n0.476255 0.103669 0.357027 F\n0.976255 0.896331 0.142973 F\n0.594520 0.595583 0.749335 F\n0.094520 0.404417 0.750665 F\n0.405480 0.404417 0.250665 F\n0.905480 0.595583 0.249335 F\n0.894131 0.766128 0.794367 F\n0.394131 0.233872 0.705633 F\n0.105869 0.233872 0.205633 F\n0.605869 0.766128 0.294367 F\n0.572446 0.915942 0.785373 F\n0.072446 0.084058 0.714627 F\n0.427554 0.084058 0.214627 F\n0.927554 0.915942 0.285373 F\n0.872697 0.802129 0.643739 F\n0.372697 0.197871 0.856261 F\n0.127303 0.197871 0.356261 F\n0.627303 0.802129 0.143739 F\n",
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"spacegroup": 14
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{
"id": "mp-1180037",
"created_at": "2022-09-04T14:48:04.809838Z",
"structure_string": "Ni1 S1 O9\n1.0\n4.483838 0.000000 0.000000\n-0.157039 4.752730 0.000000\n-0.343920 -1.914807 6.977695\nNi S O\n1 1 9\ndirect\n0.181287 0.401212 0.989385 Ni\n0.700793 0.844217 0.942097 S\n0.508184 0.740966 0.073982 O\n0.408741 0.184000 0.785293 O\n0.477552 0.881614 0.767801 O\n0.876304 0.949346 0.489039 O\n0.844963 0.130174 0.039363 O\n0.312681 0.325714 0.286958 O\n0.519052 0.427164 0.407052 O\n0.066422 0.881353 0.370978 O\n0.908021 0.626242 0.848052 O\n",
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"formula_full": "Ni1 S1 O9",
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{
"id": "mp-767036",
"created_at": "2022-09-04T14:43:53.262967Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-4.329748 -0.158918 -4.834345\n0.083071 -7.926858 0.186095\n-8.647557 0.015519 4.570510\nLi Co C O\n8 4 8 24\ndirect\n0.585667 0.080461 0.178619 Li\n0.085876 0.080507 0.678725 Li\n0.836569 0.417636 0.428853 Li\n0.336630 0.417559 0.928866 Li\n0.044182 0.911121 0.388939 Li\n0.543837 0.911484 0.888633 Li\n0.794703 0.587271 0.139030 Li\n0.294966 0.587387 0.639074 Li\n0.763610 0.495140 0.752593 Co\n0.013500 0.003168 0.002714 Co\n0.263450 0.495115 0.252601 Co\n0.513559 0.003189 0.502654 Co\n0.507836 0.742147 0.362395 C\n0.007909 0.742147 0.862438 C\n0.257619 0.756341 0.112600 C\n0.757576 0.756382 0.612649 C\n0.238787 0.229607 0.392917 C\n0.738907 0.229625 0.892871 C\n0.989001 0.268638 0.142714 C\n0.489194 0.268593 0.642717 C\n0.399568 0.750547 0.492928 O\n0.899702 0.750414 0.992982 O\n0.149376 0.747728 0.243125 O\n0.649336 0.747725 0.743133 O\n0.591075 0.881891 0.305161 O\n0.090982 0.881932 0.805253 O\n0.340233 0.616691 0.055067 O\n0.840266 0.616720 0.555059 O\n0.214145 0.087783 0.463350 O\n0.714146 0.087753 0.963251 O\n0.964321 0.410317 0.213293 O\n0.464509 0.410278 0.713252 O\n0.537552 0.600676 0.294342 O\n0.037686 0.600713 0.794293 O\n0.287706 0.898105 0.044872 O\n0.787707 0.898144 0.544913 O\n0.142691 0.366226 0.446852 O\n0.642831 0.366234 0.946842 O\n0.892650 0.132010 0.196551 O\n0.392905 0.131979 0.696564 O\n0.357282 0.238385 0.265848 O\n0.857460 0.238444 0.765835 O\n0.107756 0.259909 0.015768 O\n0.607862 0.259873 0.515717 O\n",
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"formula_full": "Li8 Co4 C8 O24",
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{
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"structure_string": "K2 Ca1 Ni1 N6 O12\n1.0\n0.000000 5.234974 5.234974\n5.234974 0.000000 5.234974\n5.234974 5.234974 0.000000\nK Ca Ni N O\n2 1 1 6 12\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ni\n0.799628 0.200372 0.200372 N\n0.200372 0.799628 0.200372 N\n0.200372 0.200372 0.799628 N\n0.799628 0.799628 0.200372 N\n0.799628 0.200372 0.799628 N\n0.200372 0.799628 0.799628 N\n0.366288 0.633712 0.161355 O\n0.366288 0.838645 0.633712 O\n0.633712 0.161355 0.366288 O\n0.838645 0.366288 0.161355 O\n0.161355 0.633712 0.838645 O\n0.633712 0.838645 0.161355 O\n0.838645 0.161355 0.633712 O\n0.633712 0.366288 0.838645 O\n0.366288 0.161355 0.838645 O\n0.161355 0.366288 0.633712 O\n0.161355 0.838645 0.366288 O\n0.838645 0.633712 0.366288 O\n",
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{
"id": "mp-1022492",
"created_at": "2022-09-04T14:41:48.679804Z",
"structure_string": "Sr2 Mg12 Zr2\n1.0\n5.275481 0.000000 0.000000\n0.000000 6.952156 0.000000\n0.000000 0.000000 11.214169\nSr Mg Zr\n2 12 2\ndirect\n0.500000 0.500000 0.143991 Sr\n0.500000 0.000000 0.643991 Sr\n0.000000 0.229982 0.091893 Mg\n0.000000 0.770018 0.091893 Mg\n0.000000 0.500000 0.851572 Mg\n0.500000 0.229316 0.903314 Mg\n0.500000 0.770684 0.903314 Mg\n0.500000 0.500000 0.659958 Mg\n0.000000 0.729982 0.591893 Mg\n0.000000 0.270018 0.591893 Mg\n0.000000 0.000000 0.351572 Mg\n0.500000 0.729316 0.403314 Mg\n0.500000 0.270684 0.403314 Mg\n0.500000 0.000000 0.159958 Mg\n0.000000 0.500000 0.354064 Zr\n0.000000 0.000000 0.854064 Zr\n",
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{
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"structure_string": "Al2 Si4 O12\n1.0\n-5.257376 0.000000 0.000000\n2.612582 4.567581 0.000000\n1.810117 -0.320626 -9.450350\nAl Si O\n2 4 12\ndirect\n0.313730 0.685878 0.999926 Al\n0.686270 0.314122 0.000074 Al\n0.256574 0.002434 0.710430 Si\n0.743426 0.997566 0.289570 Si\n0.911445 0.346318 0.709840 Si\n0.088555 0.653682 0.290160 Si\n0.356904 0.993438 0.883041 O\n0.643096 0.006562 0.116959 O\n0.956845 0.393514 0.882558 O\n0.043155 0.606486 0.117442 O\n0.554974 0.576580 0.929812 O\n0.445026 0.423420 0.070188 O\n0.555863 0.212472 0.644774 O\n0.444137 0.787528 0.355226 O\n0.102557 0.667400 0.645125 O\n0.897443 0.332600 0.354875 O\n0.019283 0.121214 0.671217 O\n0.980717 0.878786 0.328783 O\n",
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"formula_full": "Al2 Si4 O12",
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{
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