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{
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{
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"structure_string": "Sr10 Br16 Cl4\n1.0\n11.601241 0.000000 0.000000\n0.000000 11.601241 0.000000\n0.000000 0.000000 7.158367\nSr Br Cl\n10 16 4\ndirect\n0.500000 0.000000 0.150008 Sr\n0.000000 0.500000 0.849992 Sr\n0.843219 0.859477 0.751753 Sr\n0.359477 0.656781 0.751753 Sr\n0.640523 0.343219 0.751753 Sr\n0.156781 0.140523 0.751753 Sr\n0.656781 0.640523 0.248247 Sr\n0.140523 0.843219 0.248247 Sr\n0.859477 0.156781 0.248247 Sr\n0.343219 0.359477 0.248247 Sr\n0.709215 0.089382 0.901841 Br\n0.589382 0.790785 0.901841 Br\n0.410618 0.209215 0.901841 Br\n0.290785 0.910618 0.901841 Br\n0.790785 0.410618 0.098159 Br\n0.910618 0.709215 0.098159 Br\n0.212429 0.403082 0.622939 Br\n0.903082 0.287571 0.622939 Br\n0.096918 0.712429 0.622939 Br\n0.787571 0.596918 0.622939 Br\n0.287571 0.096918 0.377061 Br\n0.596918 0.212429 0.377061 Br\n0.403082 0.787571 0.377061 Br\n0.712429 0.903082 0.377061 Br\n0.209215 0.589382 0.098159 Br\n0.089382 0.290785 0.098159 Br\n0.000000 0.000000 0.500000 Cl\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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"formula_full": "Sr10 Br16 Cl4",
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{
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{
"id": "mp-698728",
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"structure_string": "Ba2 Ca1 Y1 Co8 O14\n1.0\n3.393851 -5.878322 0.000000\n3.393851 5.878322 0.000000\n0.000000 0.000000 9.805825\nBa Ca Y Co O\n2 1 1 8 14\ndirect\n0.666667 0.333333 0.106646 Ba\n0.000000 0.000000 0.613089 Ba\n0.000000 0.000000 0.970428 Ca\n0.666667 0.333333 0.491506 Y\n0.521714 0.478286 0.784433 Co\n0.333333 0.666667 0.392669 Co\n0.521714 0.043429 0.784433 Co\n0.956571 0.478286 0.784433 Co\n0.667475 0.833737 0.223025 Co\n0.166263 0.332525 0.223025 Co\n0.166263 0.833737 0.223025 Co\n0.333333 0.666667 0.745488 Co\n0.497900 0.502100 0.371070 O\n0.412608 0.206304 0.681769 O\n0.497900 0.995799 0.371070 O\n0.793696 0.587392 0.681769 O\n0.793696 0.206304 0.681769 O\n0.629145 0.814573 0.843862 O\n0.004201 0.502100 0.371070 O\n0.868917 0.131083 0.153359 O\n0.185427 0.370855 0.843862 O\n0.868917 0.737834 0.153359 O\n0.333333 0.666667 0.190503 O\n0.262166 0.131083 0.153359 O\n0.185427 0.814573 0.843862 O\n0.333333 0.666667 0.572918 O\n",
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{
"id": "mp-760050",
"created_at": "2022-09-04T14:47:17.460385Z",
"structure_string": "Li7 Sc9 Fe1 Si20 O60\n1.0\n4.524895 10.221590 0.000000\n-4.524895 10.221590 0.000000\n0.000000 3.583513 12.393075\nLi Sc Fe Si O\n7 9 1 20 60\ndirect\n0.201081 0.599293 0.899958 Li\n0.600984 0.999473 0.799240 Li\n0.999039 0.399733 0.699546 Li\n0.796524 0.203476 0.500000 Li\n0.600267 0.000961 0.300454 Li\n0.000527 0.399016 0.200760 Li\n0.400707 0.798919 0.100042 Li\n0.842427 0.963163 0.900387 Sc\n0.954697 0.646364 0.799350 Sc\n0.637914 0.758125 0.697911 Sc\n0.746849 0.450167 0.599369 Sc\n0.549833 0.253151 0.400631 Sc\n0.241875 0.362086 0.302089 Sc\n0.353636 0.045303 0.200650 Sc\n0.036837 0.157573 0.099613 Sc\n0.152307 0.847693 0.000000 Sc\n0.441118 0.558882 0.500000 Fe\n0.772284 0.499661 0.931556 Si\n0.300600 0.029460 0.867179 Si\n0.569264 0.300392 0.732336 Si\n0.500771 0.569074 0.834314 Si\n0.034009 0.096243 0.763716 Si\n0.298169 0.377182 0.632151 Si\n0.827834 0.900879 0.565940 Si\n0.104511 0.824548 0.664438 Si\n0.371607 0.103058 0.530358 Si\n0.896942 0.628393 0.469642 Si\n0.099121 0.172166 0.434060 Si\n0.622818 0.701831 0.367849 Si\n0.903757 0.965991 0.236284 Si\n0.175452 0.895489 0.335562 Si\n0.699608 0.430736 0.267664 Si\n0.970540 0.699400 0.132821 Si\n0.500339 0.227716 0.068444 Si\n0.430926 0.499229 0.165686 Si\n0.697739 0.774318 0.031634 Si\n0.225682 0.302261 0.968366 Si\n0.093274 0.492060 0.921918 O\n0.760071 0.830521 0.914391 O\n0.277732 0.187037 0.879559 O\n0.043101 0.768822 0.782773 O\n0.706567 0.110818 0.776431 O\n0.612151 0.525150 0.923130 O\n0.490368 0.896232 0.821294 O\n0.827428 0.562192 0.813767 O\n0.410354 0.322293 0.724910 O\n0.983833 0.028147 0.879739 O\n0.311049 0.703298 0.879898 O\n0.186113 0.081797 0.777535 O\n0.770860 0.841113 0.684234 O\n0.107689 0.507837 0.677548 O\n0.520315 0.413818 0.821124 O\n0.985668 0.878966 0.577336 O\n0.896696 0.285348 0.717495 O\n0.568821 0.619596 0.718540 O\n0.322536 0.219729 0.616992 O\n0.696149 0.091438 0.520169 O\n0.370557 0.425918 0.517439 O\n0.083268 0.981377 0.675135 O\n0.836523 0.571816 0.587621 O\n0.514892 0.916355 0.574002 O\n0.871144 0.788461 0.478581 O\n0.292310 0.679754 0.620069 O\n0.624286 0.362446 0.614200 O\n0.211539 0.128856 0.521419 O\n0.083645 0.485108 0.425998 O\n0.428184 0.163477 0.412379 O\n0.574082 0.629443 0.482561 O\n0.908562 0.303851 0.479831 O\n0.780271 0.677464 0.383008 O\n0.380404 0.431179 0.281460 O\n0.714652 0.103304 0.282505 O\n0.121034 0.014332 0.422664 O\n0.492163 0.892311 0.322452 O\n0.158887 0.229140 0.315766 O\n0.637554 0.375714 0.385800 O\n0.918203 0.813887 0.222465 O\n0.320246 0.707690 0.379931 O\n0.677707 0.589646 0.275090 O\n0.437808 0.172572 0.186233 O\n0.103768 0.509632 0.178706 O\n0.018623 0.916732 0.324865 O\n0.474850 0.387849 0.076870 O\n0.889182 0.293433 0.223569 O\n0.231178 0.956899 0.217227 O\n0.812963 0.722268 0.120441 O\n0.686618 0.082959 0.025355 O\n0.586182 0.479685 0.178876 O\n0.028542 0.759771 0.015618 O\n0.169479 0.239929 0.085609 O\n0.507940 0.906726 0.078082 O\n0.383901 0.279205 0.980108 O\n0.296702 0.688951 0.120102 O\n0.971853 0.016167 0.120261 O\n0.720795 0.616099 0.019892 O\n0.240229 0.971458 0.984382 O\n0.917041 0.313382 0.974645 O\n",
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{
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"structure_string": "Rb8 Ge8 S20\n1.0\n7.940418 7.909149 0.000000\n-7.940418 7.909149 0.000000\n0.000000 2.383030 8.995012\nRb Ge S\n8 8 20\ndirect\n0.474838 0.210590 0.874114 Rb\n0.789410 0.525162 0.625886 Rb\n0.525162 0.789410 0.125886 Rb\n0.210590 0.474838 0.374114 Rb\n0.791382 0.940404 0.627432 Rb\n0.059596 0.208618 0.872568 Rb\n0.208618 0.059596 0.372568 Rb\n0.940404 0.791382 0.127432 Rb\n0.527153 0.267164 0.399072 Ge\n0.732836 0.472847 0.100928 Ge\n0.472847 0.732836 0.600928 Ge\n0.267164 0.527153 0.899072 Ge\n0.270161 0.862184 0.885045 Ge\n0.137816 0.729839 0.614955 Ge\n0.729839 0.137816 0.114955 Ge\n0.862184 0.270161 0.385045 Ge\n0.544062 0.117516 0.260154 S\n0.882484 0.455938 0.239846 S\n0.455938 0.882484 0.739846 S\n0.117516 0.544062 0.760154 S\n0.322959 0.755152 0.462364 S\n0.244848 0.677041 0.037636 S\n0.677041 0.244848 0.537636 S\n0.755152 0.322959 0.962364 S\n0.354636 0.243618 0.545136 S\n0.756382 0.645364 0.954864 S\n0.645364 0.756382 0.454864 S\n0.243618 0.354636 0.045136 S\n0.752856 0.003801 0.975745 S\n0.996199 0.247144 0.524255 S\n0.247144 0.996199 0.024255 S\n0.003801 0.752856 0.475745 S\n0.881066 0.118934 0.250000 S\n0.118934 0.881066 0.750000 S\n0.547324 0.452676 0.250000 S\n0.452676 0.547324 0.750000 S\n",
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{
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