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{
"id": "mp-1521652",
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"structure_string": "Ba1 Na1 Pr1 Sb1 O6\n1.0\n-0.000000 -4.339917 -4.339917\n4.339917 -0.000000 -4.339917\n4.339917 -4.339917 -0.000000\nBa Na Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.730537 0.269463 0.269463 O\n0.269463 0.730537 0.730537 O\n0.730537 0.269463 0.730537 O\n0.269463 0.730537 0.269463 O\n0.730537 0.730537 0.269463 O\n0.269463 0.269463 0.730537 O\n",
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{
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"structure_string": "Sn4 I4 Br4\n1.0\n4.440328 0.000000 0.000000\n0.000000 8.916859 0.000000\n0.000000 0.000000 11.599044\nSn I Br\n4 4 4\ndirect\n0.250000 0.622228 0.647130 Sn\n0.750000 0.377772 0.352870 Sn\n0.750000 0.877772 0.147130 Sn\n0.250000 0.122228 0.852870 Sn\n0.250000 0.510572 0.194227 I\n0.750000 0.489428 0.805773 I\n0.750000 0.989428 0.694227 I\n0.250000 0.010572 0.305773 I\n0.250000 0.837641 0.957259 Br\n0.750000 0.162359 0.042741 Br\n0.750000 0.662359 0.457259 Br\n0.250000 0.337641 0.542741 Br\n",
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{
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"structure_string": "Fe4 S4 O32\n1.0\n6.668743 0.000000 0.000000\n0.300236 8.848454 0.000000\n1.057923 1.873106 11.436782\nFe S O\n4 4 32\ndirect\n0.178859 0.939585 0.068069 Fe\n0.821141 0.060415 0.931931 Fe\n0.201259 0.914930 0.759991 Fe\n0.798741 0.085070 0.240009 Fe\n0.088709 0.812683 0.346692 S\n0.911291 0.187317 0.653308 S\n0.473224 0.236879 0.074607 S\n0.526776 0.763121 0.925393 S\n0.012039 0.029476 0.659306 O\n0.987961 0.970524 0.340694 O\n0.050367 0.308656 0.602210 O\n0.949633 0.691344 0.397790 O\n0.162948 0.798093 0.222119 O\n0.837052 0.201907 0.777881 O\n0.260522 0.804388 0.418446 O\n0.739478 0.195612 0.581554 O\n0.398803 0.787940 0.033710 O\n0.601197 0.212060 0.966290 O\n0.388654 0.757192 0.830699 O\n0.611346 0.242808 0.169301 O\n0.349561 0.373330 0.057852 O\n0.650439 0.626670 0.942148 O\n0.346733 0.094298 0.113138 O\n0.653267 0.905702 0.886862 O\n0.100653 0.979103 0.906108 O\n0.899347 0.020897 0.093892 O\n0.403236 0.508572 0.230411 O\n0.596764 0.491428 0.769589 O\n0.413111 0.928943 0.610050 O\n0.586889 0.071057 0.389950 O\n0.007985 0.699698 0.740860 O\n0.992015 0.300302 0.259140 O\n0.120917 0.309961 0.327644 O\n0.879083 0.690039 0.672356 O\n0.966151 0.634308 0.082654 O\n0.033849 0.365692 0.917346 O\n0.169765 0.402910 0.840882 O\n0.830235 0.597090 0.159118 O\n0.447012 0.036734 0.667075 O\n0.552988 0.963266 0.332925 O\n",
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{
"id": "mp-753770",
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"structure_string": "Li4 Fe2 P2 C2 O14\n1.0\n5.063027 0.000000 0.000000\n-0.470397 6.325674 0.000000\n-0.452052 -0.938807 8.442402\nLi Fe P C O\n4 2 2 2 14\ndirect\n0.249611 0.965603 0.270253 Li\n0.357141 0.483192 0.283991 Li\n0.642859 0.516808 0.716009 Li\n0.750389 0.034397 0.729747 Li\n0.190059 0.748163 0.849864 Fe\n0.809941 0.251837 0.150136 Fe\n0.288479 0.257537 0.922415 P\n0.711521 0.742463 0.077585 P\n0.256900 0.751662 0.559611 C\n0.743100 0.248338 0.440389 C\n0.025610 0.719601 0.616245 O\n0.174928 0.326194 0.085755 O\n0.116512 0.059184 0.842320 O\n0.285559 0.441481 0.817362 O\n0.296997 0.748940 0.413671 O\n0.418527 0.800040 0.052603 O\n0.543472 0.214408 0.329110 O\n0.456528 0.785592 0.670890 O\n0.581473 0.199960 0.947397 O\n0.703003 0.251060 0.586329 O\n0.714441 0.558519 0.182638 O\n0.825072 0.673806 0.914245 O\n0.974390 0.280399 0.383755 O\n0.883488 0.940816 0.157680 O\n",
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"density": 2.7600256831872807,
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"formula_full": "Li4 Fe2 P2 C2 O14",
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"spacegroup": 2
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{
"id": "mp-1220937",
"created_at": "2022-09-04T14:39:08.147678Z",
"structure_string": "Na2 U4 F18\n1.0\n3.509861 5.737777 0.000000\n-3.509861 5.737777 0.000000\n0.000000 1.978573 8.464141\nNa U F\n2 4 18\ndirect\n0.583028 0.372506 0.401776 Na\n0.372506 0.583028 0.901776 Na\n0.890085 0.705522 0.312320 U\n0.294034 0.107716 0.189273 U\n0.107716 0.294034 0.689273 U\n0.705522 0.890085 0.812320 U\n0.081602 0.917637 0.250460 F\n0.917637 0.081602 0.750460 F\n0.914565 0.378248 0.236506 F\n0.620595 0.085970 0.266775 F\n0.085970 0.620595 0.766775 F\n0.378248 0.914565 0.736506 F\n0.185064 0.527146 0.470195 F\n0.469896 0.815564 0.028481 F\n0.815564 0.469896 0.528481 F\n0.527146 0.185064 0.970195 F\n0.880220 0.785412 0.042186 F\n0.214440 0.124581 0.456053 F\n0.124581 0.214440 0.956053 F\n0.785412 0.880220 0.542186 F\n0.528202 0.749569 0.323724 F\n0.250715 0.474283 0.173449 F\n0.474283 0.250715 0.673449 F\n0.749569 0.528202 0.823724 F\n",
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{
"id": "mp-31463",
"created_at": "2022-09-04T14:39:08.141605Z",
"structure_string": "Tb20 Bi12\n1.0\n8.302245 0.000000 0.000000\n0.000000 9.587123 0.000000\n0.000000 0.000000 12.111782\nTb Bi\n20 12\ndirect\n0.352577 0.750000 0.214462 Tb\n0.852577 0.750000 0.285538 Tb\n0.647423 0.250000 0.785538 Tb\n0.147423 0.250000 0.714462 Tb\n0.693559 0.562669 0.057970 Tb\n0.193559 0.937331 0.442030 Tb\n0.306441 0.062669 0.942030 Tb\n0.806441 0.437331 0.557970 Tb\n0.306441 0.437331 0.942030 Tb\n0.806441 0.062669 0.557970 Tb\n0.693559 0.937331 0.057970 Tb\n0.193559 0.562669 0.442030 Tb\n0.475428 0.250000 0.488269 Tb\n0.975428 0.250000 0.011731 Tb\n0.524572 0.750000 0.511731 Tb\n0.024572 0.750000 0.988269 Tb\n0.313170 0.250000 0.219530 Tb\n0.813170 0.250000 0.280470 Tb\n0.686830 0.750000 0.780470 Tb\n0.186830 0.750000 0.719530 Tb\n0.408599 0.750000 0.956943 Bi\n0.908599 0.750000 0.543057 Bi\n0.591401 0.250000 0.043057 Bi\n0.091401 0.250000 0.456943 Bi\n0.564759 0.995502 0.325282 Bi\n0.064759 0.504498 0.174718 Bi\n0.435241 0.495502 0.674718 Bi\n0.935241 0.004498 0.825282 Bi\n0.435241 0.004498 0.674718 Bi\n0.935241 0.495502 0.825282 Bi\n0.564759 0.504498 0.325282 Bi\n0.064759 0.995502 0.174718 Bi\n",
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{
"id": "mp-1021275",
"created_at": "2022-09-04T14:39:08.139614Z",
"structure_string": "Li2 Mg12 Cr2\n1.0\n5.065918 0.000000 0.000000\n0.000000 6.220335 0.000000\n0.000000 0.000000 10.852465\nLi Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.330600 Li\n0.000000 0.000000 0.830600 Li\n0.000000 0.741755 0.086836 Mg\n0.000000 0.258245 0.086836 Mg\n0.000000 0.000000 0.332746 Mg\n0.500000 0.254486 0.415600 Mg\n0.500000 0.745514 0.415600 Mg\n0.500000 0.000000 0.166021 Mg\n0.000000 0.241755 0.586836 Mg\n0.000000 0.758245 0.586836 Mg\n0.000000 0.500000 0.832746 Mg\n0.500000 0.754486 0.915600 Mg\n0.500000 0.245514 0.915600 Mg\n0.500000 0.500000 0.666021 Mg\n0.500000 0.500000 0.165761 Cr\n0.500000 0.000000 0.665761 Cr\n",
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{
"id": "mp-1015065",
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"structure_string": "Cr12 N16\n1.0\n3.835934 -6.644032 0.000000\n3.835934 6.644032 0.000000\n0.000000 0.000000 6.655438\nCr N\n12 16\ndirect\n0.463940 0.099942 0.269947 Cr\n0.636002 0.536060 0.269947 Cr\n0.900058 0.363998 0.269947 Cr\n0.363998 0.900058 0.769947 Cr\n0.099942 0.463940 0.769947 Cr\n0.536060 0.636002 0.769947 Cr\n0.196457 0.241449 0.515060 Cr\n0.044992 0.803543 0.515060 Cr\n0.758551 0.955008 0.515060 Cr\n0.955008 0.758551 0.015060 Cr\n0.241449 0.196457 0.015060 Cr\n0.803543 0.044992 0.015060 Cr\n0.000000 0.000000 0.363147 N\n0.000000 0.000000 0.863147 N\n0.000000 0.000000 0.669071 N\n0.000000 0.000000 0.169071 N\n0.322709 0.954491 0.502262 N\n0.631782 0.677291 0.502262 N\n0.045509 0.368218 0.502262 N\n0.368218 0.045509 0.002262 N\n0.954491 0.322709 0.002262 N\n0.677291 0.631782 0.002262 N\n0.383340 0.303417 0.285325 N\n0.920077 0.616660 0.285325 N\n0.696583 0.079923 0.285325 N\n0.079923 0.696583 0.785325 N\n0.303417 0.383340 0.785325 N\n0.616660 0.920077 0.785325 N\n",
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{
"id": "mp-1039915",
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"structure_string": "Na1 Mg30 Si1 O32\n1.0\n8.554954 0.000000 0.000000\n0.000000 8.554954 0.000000\n0.000000 0.000000 8.530427\nNa Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251579 0.000000 0.253685 Mg\n0.251579 0.000000 0.746315 Mg\n0.748421 0.000000 0.253685 Mg\n0.748421 0.000000 0.746315 Mg\n0.250454 0.500000 0.251307 Mg\n0.250454 0.500000 0.748693 Mg\n0.749546 0.500000 0.251307 Mg\n0.749546 0.500000 0.748693 Mg\n0.000000 0.251579 0.253685 Mg\n0.000000 0.251579 0.746315 Mg\n0.500000 0.250454 0.251307 Mg\n0.500000 0.250454 0.748693 Mg\n0.000000 0.748421 0.253685 Mg\n0.000000 0.748421 0.746315 Mg\n0.500000 0.749546 0.251307 Mg\n0.500000 0.749546 0.748693 Mg\n0.250935 0.250935 0.000000 Mg\n0.249365 0.249365 0.500000 Mg\n0.749065 0.250935 0.000000 Mg\n0.750635 0.249365 0.500000 Mg\n0.250935 0.749065 0.000000 Mg\n0.249365 0.750635 0.500000 Mg\n0.749065 0.749065 0.000000 Mg\n0.750635 0.750635 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.224223 0.000000 O\n0.000000 0.261230 0.500000 O\n0.500000 0.246723 0.000000 O\n0.500000 0.251483 0.500000 O\n0.000000 0.775777 0.000000 O\n0.000000 0.738770 0.500000 O\n0.500000 0.753277 0.000000 O\n0.500000 0.748517 0.500000 O\n0.248800 0.248800 0.248829 O\n0.248800 0.248800 0.751171 O\n0.751200 0.248800 0.248829 O\n0.751200 0.248800 0.751171 O\n0.248800 0.751200 0.248829 O\n0.248800 0.751200 0.751171 O\n0.751200 0.751200 0.248829 O\n0.751200 0.751200 0.751171 O\n0.000000 0.000000 0.212383 O\n0.000000 0.000000 0.787617 O\n0.500000 0.000000 0.243366 O\n0.500000 0.000000 0.756634 O\n0.000000 0.500000 0.243366 O\n0.000000 0.500000 0.756634 O\n0.500000 0.500000 0.248044 O\n0.500000 0.500000 0.751956 O\n0.224223 0.000000 0.000000 O\n0.261230 0.000000 0.500000 O\n0.775777 0.000000 0.000000 O\n0.738770 0.000000 0.500000 O\n0.246723 0.500000 0.000000 O\n0.251483 0.500000 0.500000 O\n0.753277 0.500000 0.000000 O\n0.748517 0.500000 0.500000 O\n",
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{
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}