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{
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{
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{
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"structure_string": "Li20 Fe4 O16\n1.0\n5.605404 0.000000 0.000000\n0.028652 6.779153 0.000000\n2.257501 0.010907 10.783148\nLi Fe O\n20 4 16\ndirect\n0.097606 0.212677 0.289198 Li\n0.007522 0.254053 0.658827 Li\n0.096623 0.980063 0.801420 Li\n0.108820 0.528616 0.797630 Li\n0.277221 0.967305 0.079789 Li\n0.221569 0.473329 0.424307 Li\n0.314165 0.533939 0.059217 Li\n0.180035 0.025334 0.447437 Li\n0.404917 0.713329 0.217834 Li\n0.506664 0.257262 0.171310 Li\n0.587252 0.966774 0.307711 Li\n0.491968 0.754731 0.824114 Li\n0.544560 0.261934 0.765945 Li\n0.771996 0.983182 0.571003 Li\n0.677696 0.041587 0.936372 Li\n0.911281 0.471428 0.196076 Li\n0.799799 0.530250 0.562226 Li\n0.697496 0.469109 0.929127 Li\n0.987626 0.755411 0.335080 Li\n0.889886 0.753166 0.701400 Li\n0.170818 0.252920 0.948010 Fe\n0.680079 0.260934 0.432496 Fe\n0.826069 0.759349 0.060278 Fe\n0.324909 0.751478 0.568348 Fe\n0.095141 0.731005 0.142025 O\n0.166727 0.267101 0.118305 O\n0.102642 0.968274 0.626246 O\n0.110112 0.534641 0.622423 O\n0.337805 0.762629 0.391600 O\n0.399945 0.228179 0.358696 O\n0.362987 0.026585 0.888569 O\n0.373913 0.474233 0.881936 O\n0.634496 0.525268 0.110537 O\n0.600091 0.963418 0.123007 O\n0.602077 0.751327 0.640256 O\n0.687324 0.260423 0.601848 O\n0.904963 0.466485 0.371376 O\n0.867726 0.022505 0.383994 O\n0.857927 0.756128 0.881000 O\n0.909657 0.251844 0.858623 O\n",
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{
"id": "mp-28769",
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"structure_string": "K2 Sn4 Se8\n1.0\n9.712934 3.317576 0.000000\n-9.712934 3.317576 0.000000\n0.000000 0.735025 7.580199\nK Sn Se\n2 4 8\ndirect\n0.344806 0.030740 0.965656 K\n0.030740 0.344806 0.965656 K\n0.588760 0.588760 0.376242 Sn\n0.482843 0.859643 0.556484 Sn\n0.859643 0.482843 0.556484 Sn\n0.687872 0.687872 0.868143 Sn\n0.494982 0.113754 0.459697 Se\n0.113754 0.494982 0.459697 Se\n0.367320 0.367320 0.121536 Se\n0.760941 0.956061 0.351879 Se\n0.372320 0.372320 0.668769 Se\n0.856779 0.530178 0.877239 Se\n0.530178 0.856779 0.877239 Se\n0.956061 0.760941 0.351879 Se\n",
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"density": 4.027000190157529,
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"volume": 488.5195193081353,
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"formula_full": "K2 Sn4 Se8",
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{
"id": "mp-981548",
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"structure_string": "Y1 Er1 Tl2\n1.0\n0.000000 3.791096 3.791096\n3.791096 0.000000 3.791096\n3.791096 3.791096 0.000000\nY Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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{
"id": "mp-637582",
"created_at": "2022-09-04T14:45:15.607792Z",
"structure_string": "Rb2 Ba1 Pt2 C8 N8\n1.0\n7.863324 0.000000 0.000000\n0.000000 7.863324 0.000000\n0.000000 0.000000 7.027809\nRb Ba Pt C N\n2 1 2 8 8\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.757050 Pt\n0.000000 0.000000 0.242950 Pt\n0.178978 0.178978 0.759850 C\n0.821022 0.821022 0.240150 C\n0.821022 0.178978 0.759850 C\n0.178978 0.821022 0.759850 C\n0.178978 0.178978 0.240150 C\n0.821022 0.821022 0.759850 C\n0.821022 0.178978 0.240150 C\n0.178978 0.821022 0.240150 C\n0.284842 0.715158 0.762889 N\n0.284842 0.284842 0.237111 N\n0.284842 0.284842 0.762889 N\n0.715158 0.715158 0.237111 N\n0.715158 0.284842 0.762889 N\n0.715158 0.715158 0.762889 N\n0.284842 0.715158 0.237111 N\n0.715158 0.284842 0.237111 N\n",
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{
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"structure_string": "Na1 Ca1 Pr1 Fe1 O6\n1.0\n0.000000 -4.020474 -4.020474\n4.020474 -0.000000 -4.020474\n4.020474 -4.020474 0.000000\nNa Ca Pr Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n-0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Fe\n0.729068 0.270932 0.270932 O\n0.270932 0.729068 0.729068 O\n0.729068 0.270932 0.729068 O\n0.270932 0.729068 0.270932 O\n0.729068 0.729068 0.270932 O\n0.270932 0.270932 0.729068 O\n",
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{
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"structure_string": "K4 Fe12 H4 C44 O44\n1.0\n12.474836 0.000000 0.000000\n0.000000 9.198191 0.000000\n-1.796944 0.000000 15.573363\nK Fe H C O\n4 12 4 44 44\ndirect\n0.709511 0.688080 0.022797 K\n0.290489 0.188080 0.477203 K\n0.290489 0.311920 0.977203 K\n0.709511 0.811920 0.522797 K\n0.869274 0.195557 0.281967 Fe\n0.130726 0.695557 0.218033 Fe\n0.130726 0.804443 0.718033 Fe\n0.869274 0.304443 0.781967 Fe\n0.711214 0.271028 0.398192 Fe\n0.288786 0.771028 0.101808 Fe\n0.288786 0.728972 0.601808 Fe\n0.711214 0.228972 0.898192 Fe\n0.636408 0.198193 0.241435 Fe\n0.363592 0.698193 0.258565 Fe\n0.363592 0.801807 0.758565 Fe\n0.636408 0.301807 0.741435 Fe\n0.651401 0.341506 0.306643 H\n0.348599 0.841506 0.193357 H\n0.348599 0.658494 0.693357 H\n0.651401 0.158494 0.806643 H\n0.845233 0.384924 0.253134 C\n0.154767 0.884924 0.246866 C\n0.154767 0.615076 0.746866 C\n0.845233 0.115076 0.753134 C\n0.916907 0.146816 0.179498 C\n0.083093 0.646816 0.320502 C\n0.083093 0.853184 0.820502 C\n0.916907 0.353184 0.679498 C\n0.993409 0.231896 0.350857 C\n0.006591 0.731896 0.149143 C\n0.006591 0.768104 0.649143 C\n0.993409 0.268104 0.850857 C\n0.863949 0.008108 0.317073 C\n0.136051 0.508108 0.182927 C\n0.136051 0.991892 0.682927 C\n0.863949 0.491892 0.817073 C\n0.766450 0.450095 0.417539 C\n0.233550 0.950095 0.082461 C\n0.233550 0.549905 0.582461 C\n0.766450 0.049905 0.917539 C\n0.800532 0.167907 0.474117 C\n0.199468 0.667907 0.025883 C\n0.199468 0.832093 0.525883 C\n0.800532 0.332093 0.974117 C\n0.648603 0.089528 0.348852 C\n0.351397 0.589528 0.151148 C\n0.351397 0.910472 0.651148 C\n0.648603 0.410472 0.848852 C\n0.594816 0.292419 0.454803 C\n0.405184 0.792419 0.045197 C\n0.405184 0.707581 0.545197 C\n0.594816 0.207581 0.954803 C\n0.492322 0.179724 0.233817 C\n0.507678 0.679724 0.266183 C\n0.507678 0.820276 0.766183 C\n0.492322 0.320276 0.733817 C\n0.666292 0.043617 0.177021 C\n0.333708 0.543617 0.322979 C\n0.333708 0.956383 0.822979 C\n0.666292 0.456383 0.677021 C\n0.636552 0.341728 0.164183 C\n0.363448 0.841728 0.335817 C\n0.363448 0.658272 0.835817 C\n0.636552 0.158272 0.664183 C\n0.841599 0.506291 0.232150 O\n0.158401 0.006291 0.267850 O\n0.158401 0.493709 0.767850 O\n0.841599 0.993709 0.732150 O\n0.948192 0.113926 0.115528 O\n0.051808 0.613926 0.384472 O\n0.051808 0.886074 0.884472 O\n0.948192 0.386074 0.615528 O\n0.074185 0.253146 0.393779 O\n0.925815 0.753146 0.106221 O\n0.925815 0.746854 0.606221 O\n0.074185 0.246854 0.893779 O\n0.866824 0.887555 0.339311 O\n0.133176 0.387555 0.160689 O\n0.133176 0.112445 0.660689 O\n0.866824 0.612445 0.839311 O\n0.794423 0.568143 0.437000 O\n0.205577 0.068143 0.063000 O\n0.205577 0.431857 0.563000 O\n0.794423 0.931857 0.937000 O\n0.851039 0.093569 0.524378 O\n0.148961 0.593569 0.975622 O\n0.148961 0.906431 0.475622 O\n0.851039 0.406431 0.024378 O\n0.631048 0.969760 0.375046 O\n0.368952 0.469760 0.124954 O\n0.368952 0.030240 0.624954 O\n0.631048 0.530240 0.875046 O\n0.515729 0.302659 0.487920 O\n0.484271 0.802659 0.012080 O\n0.484271 0.697341 0.512080 O\n0.515729 0.197341 0.987920 O\n0.399157 0.165413 0.229049 O\n0.600843 0.665413 0.270951 O\n0.600843 0.834587 0.770951 O\n0.399157 0.334587 0.729049 O\n0.680834 0.943099 0.134041 O\n0.319166 0.443099 0.365959 O\n0.319166 0.056901 0.865959 O\n0.680834 0.556901 0.634041 O\n0.628375 0.437520 0.114733 O\n0.371625 0.937520 0.385267 O\n0.371625 0.562480 0.885267 O\n0.628375 0.062480 0.614733 O\n",
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{
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"structure_string": "K8 Ag8 Sn8 Se24\n1.0\n8.442937 0.000000 0.000000\n0.000000 8.442937 0.000000\n0.000000 0.000000 20.491052\nK Ag Sn Se\n8 8 8 24\ndirect\n0.000000 0.000000 0.405026 K\n0.000000 0.000000 0.905026 K\n0.000000 0.000000 0.595527 K\n0.000000 0.000000 0.095527 K\n0.500000 0.500000 0.246381 K\n0.500000 0.500000 0.746381 K\n0.500000 0.500000 0.448137 K\n0.500000 0.500000 0.948137 K\n0.315149 0.001194 0.249567 Ag\n0.684851 0.998806 0.249567 Ag\n0.998806 0.315149 0.249567 Ag\n0.001194 0.684851 0.249567 Ag\n0.684851 0.001194 0.749567 Ag\n0.315149 0.998806 0.749567 Ag\n0.001194 0.315149 0.749567 Ag\n0.998806 0.684851 0.749567 Ag\n0.500000 0.000000 0.412853 Sn\n0.000000 0.500000 0.412853 Sn\n0.500000 0.000000 0.912853 Sn\n0.000000 0.500000 0.912853 Sn\n0.500000 0.000000 0.588402 Sn\n0.000000 0.500000 0.588402 Sn\n0.500000 0.000000 0.088402 Sn\n0.000000 0.500000 0.088402 Sn\n0.331265 0.845721 0.499963 Se\n0.668735 0.154279 0.499963 Se\n0.154279 0.331265 0.499963 Se\n0.845721 0.668735 0.499963 Se\n0.668735 0.845721 0.999963 Se\n0.331265 0.154279 0.999963 Se\n0.845721 0.331265 0.999963 Se\n0.154279 0.668735 0.999963 Se\n0.325902 0.188005 0.345450 Se\n0.674098 0.811995 0.345450 Se\n0.811995 0.325902 0.345450 Se\n0.188005 0.674098 0.345450 Se\n0.674098 0.188005 0.845450 Se\n0.325902 0.811995 0.845450 Se\n0.188005 0.325902 0.845450 Se\n0.811995 0.674098 0.845450 Se\n0.675620 0.813238 0.654849 Se\n0.324380 0.186762 0.654849 Se\n0.186762 0.675620 0.654849 Se\n0.813238 0.324380 0.654849 Se\n0.324380 0.813238 0.154849 Se\n0.675620 0.186762 0.154849 Se\n0.813238 0.675620 0.154849 Se\n0.186762 0.324380 0.154849 Se\n",
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"updated_at": "2021-11-28T01:37:00.357000Z",
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},
{
"id": "mp-1209819",
"created_at": "2022-09-04T14:45:15.627672Z",
"structure_string": "Rb10 Mo4 Br18 O2\n1.0\n5.498463 -7.759656 0.000000\n5.498463 7.759656 0.000000\n0.000000 0.000000 14.709620\nRb Mo Br O\n10 4 18 2\ndirect\n0.370909 0.629091 0.757027 Rb\n0.629091 0.370909 0.257027 Rb\n0.935794 0.556447 0.915742 Rb\n0.064206 0.443553 0.415742 Rb\n0.556447 0.935794 0.415742 Rb\n0.443553 0.064206 0.915742 Rb\n0.775567 0.685901 0.616944 Rb\n0.224433 0.314099 0.116944 Rb\n0.685901 0.775567 0.116944 Rb\n0.314099 0.224433 0.616944 Rb\n0.960076 0.039924 0.875165 Mo\n0.039924 0.960076 0.375165 Mo\n0.776075 0.223925 0.652598 Mo\n0.223925 0.776075 0.152598 Mo\n0.821346 0.178654 0.981888 Br\n0.178654 0.821346 0.481888 Br\n0.646642 0.353358 0.768453 Br\n0.353358 0.646642 0.268453 Br\n0.921900 0.078100 0.559097 Br\n0.078100 0.921900 0.059097 Br\n0.683088 0.316912 0.507307 Br\n0.316912 0.683088 0.007307 Br\n0.202302 0.283847 0.872249 Br\n0.797698 0.716153 0.372249 Br\n0.283847 0.202302 0.372249 Br\n0.716153 0.797698 0.872249 Br\n0.019488 0.455668 0.663082 Br\n0.980512 0.544332 0.163082 Br\n0.455668 0.019488 0.163082 Br\n0.544332 0.980512 0.663082 Br\n0.893256 0.106744 0.277500 Br\n0.106744 0.893256 0.777500 Br\n0.466631 0.533369 0.606012 O\n0.533369 0.466631 0.106012 O\n",
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"elements": [
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"formula_full": "Rb10 Mo4 Br18 O2",
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"updated_at": "2021-11-28T01:36:59.948000Z",
"spacegroup": 36
},
{
"id": "mp-850934",
"created_at": "2022-09-04T14:45:15.648892Z",
"structure_string": "Fe6 O11 F1\n1.0\n4.633818 0.000000 0.000000\n0.116914 5.507239 0.000000\n0.121770 0.667706 7.524178\nFe O F\n6 11 1\ndirect\n0.517565 0.842909 0.672755 Fe\n0.497514 0.498358 0.997930 Fe\n0.498995 0.167990 0.334427 Fe\n0.993789 0.323879 0.668514 Fe\n0.986342 0.665662 0.323987 Fe\n0.003640 0.000369 0.000906 Fe\n0.811576 0.377800 0.437256 O\n0.814941 0.030432 0.779416 O\n0.803697 0.711222 0.094045 O\n0.692238 0.208277 0.104179 O\n0.688925 0.534044 0.767218 O\n0.692192 0.873885 0.437097 O\n0.310614 0.130428 0.564615 O\n0.305939 0.463039 0.231055 O\n0.307758 0.788682 0.895536 O\n0.185267 0.960197 0.226385 O\n0.191947 0.286848 0.899968 O\n0.197061 0.635979 0.564710 F\n",
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"elements": [
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"density": 4.583989873788363,
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"formula_full": "Fe6 O11 F1",
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{
"id": "mp-1096145",
"created_at": "2022-09-04T14:45:15.652754Z",
"structure_string": "Y2 Zn1 Tc1\n1.0\n-5.534627 5.980866 8.395310\n5.534627 -5.980866 8.395310\n5.534627 5.980866 -8.395310\nY Zn Tc\n2 1 1\ndirect\n0.000000 0.291154 0.291154 Y\n0.000000 0.708846 0.708846 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n",
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]
}