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{
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{
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"structure_string": "Sr18 Ca3 Cr14 O56\n1.0\n-5.623778 -9.740668 -0.000000\n11.247555 0.000000 -0.000000\n0.000000 -6.493779 13.442659\nSr Ca Cr O\n18 3 14 56\ndirect\n0.973278 0.283812 0.314639 Sr\n0.995895 0.712083 0.314639 Sr\n0.401548 0.689466 0.314639 Sr\n0.398048 0.210007 0.814442 Sr\n0.997517 0.787510 0.814442 Sr\n0.975551 0.188041 0.814442 Sr\n0.755683 0.086386 0.599838 Sr\n0.730865 0.644479 0.599838 Sr\n0.313775 0.669297 0.599838 Sr\n0.311948 0.144969 0.107524 Sr\n0.725497 0.580528 0.107524 Sr\n0.747507 0.166979 0.107524 Sr\n0.196641 0.396976 0.994147 Sr\n0.206187 0.809211 0.994147 Sr\n0.608877 0.799666 0.994147 Sr\n0.617247 0.315546 0.495586 Sr\n0.202714 0.887167 0.495586 Sr\n0.188868 0.301700 0.495586 Sr\n0.866783 0.433392 0.699825 Ca\n0.467571 0.233785 0.298644 Ca\n0.471094 0.735547 0.793360 Ca\n0.377778 0.920759 0.196784 Cr\n0.346197 0.425438 0.196784 Cr\n0.882457 0.457018 0.196784 Cr\n0.881943 0.924124 0.698903 Cr\n0.343278 0.419155 0.698903 Cr\n0.376974 0.957819 0.698903 Cr\n0.599992 0.065441 0.893693 Cr\n0.571756 0.506315 0.893693 Cr\n0.040866 0.534551 0.893693 Cr\n0.049139 0.009823 0.394535 Cr\n0.566149 0.556326 0.394535 Cr\n0.595641 0.039315 0.394535 Cr\n0.006289 0.503144 0.490567 Cr\n0.001829 0.000915 0.997256 Cr\n0.270350 0.840191 0.320884 O\n0.248958 0.408766 0.320884 O\n0.838925 0.430158 0.320884 O\n0.842196 0.911194 0.823759 O\n0.245239 0.334045 0.823759 O\n0.265048 0.931003 0.823759 O\n0.092737 0.546369 0.360894 O\n0.084121 0.042060 0.873819 O\n0.706220 0.074160 0.955470 O\n0.412470 0.338310 0.955470 O\n0.970371 0.632060 0.955470 O\n0.971212 0.838004 0.457257 O\n0.409534 0.571531 0.457257 O\n0.704740 0.133209 0.457257 O\n0.738018 0.176833 0.776359 O\n0.662457 0.485623 0.776359 O\n0.046808 0.561185 0.776359 O\n0.087834 -0.000561 0.274282 O\n0.637323 0.637884 0.274282 O\n0.726279 0.088395 0.274282 O\n0.491648 0.881904 0.904561 O\n0.485695 0.603791 0.904561 O\n0.213535 0.609744 0.904561 O\n0.214700 0.104710 0.412563 O\n0.477447 0.372737 0.412563 O\n0.482727 0.109990 0.412563 O\n0.518494 0.884265 0.155965 O\n0.209806 0.325541 0.155965 O\n0.959770 0.634229 0.155965 O\n0.957024 0.822237 0.661072 O\n0.204141 0.381904 0.661072 O\n0.516691 0.134787 0.661072 O\n0.821414 0.483211 0.554540 O\n0.107258 0.624046 0.554540 O\n0.962249 0.338202 0.554540 O\n0.972066 0.127889 0.033858 O\n0.121964 0.994075 0.033858 O\n0.838252 0.844177 0.033858 O\n0.252200 0.868542 0.144126 O\n0.472216 0.603674 0.144126 O\n0.987332 0.383658 0.144126 O\n0.986602 0.101936 0.648933 O\n0.466400 0.364464 0.648933 O\n0.249131 0.884667 0.648933 O\n0.472496 0.103940 0.173368 O\n0.458076 0.354136 0.173368 O\n0.722692 0.368556 0.173368 O\n0.722885 0.854621 0.675703 O\n0.456033 0.601412 0.675703 O\n0.469675 0.868264 0.675703 O\n0.465296 0.107097 0.939458 O\n0.702343 0.595246 0.939458 O\n0.953445 0.358200 0.939458 O\n0.956295 0.096128 0.439161 O\n0.700672 0.604543 0.439161 O\n0.464710 0.860167 0.439161 O\n",
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"formula_full": "Sr18 Ca3 Cr14 O56",
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{
"id": "mp-1516358",
"created_at": "2022-09-04T14:46:56.709822Z",
"structure_string": "Ba1 Na1 Bi1 W1 O6\n1.0\n0.000000 -4.282608 -4.282608\n4.282608 -0.000000 -4.282608\n4.282608 -4.282608 0.000000\nBa Na Bi W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 -0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 W\n0.727998 0.272002 0.272002 O\n0.272002 0.727998 0.727998 O\n0.727998 0.272002 0.727998 O\n0.272002 0.727998 0.272002 O\n0.727998 0.727998 0.272002 O\n0.272002 0.272002 0.727998 O\n",
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"density_atomic": 0.06365683363832413,
"volume": 157.09232502540897,
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"formula_full": "Ba1 Na1 Bi1 W1 O6",
"formula_reduced": "BaNaBiWO6",
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"updated_at": "2021-11-28T01:37:47.063000Z",
"spacegroup": 216
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{
"id": "mp-2195",
"created_at": "2022-09-04T14:46:56.714812Z",
"structure_string": "Lu1 Mg1\n1.0\n3.727945 0.000000 0.000000\n0.000000 3.727945 0.000000\n0.000000 0.000000 3.727945\nLu Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-1284950",
"created_at": "2022-09-04T14:46:56.715469Z",
"structure_string": "La4 Ni4 O12\n1.0\n4.753816 -0.012624 2.632161\n-3.224390 4.466872 5.405872\n-1.581467 -4.525811 2.808906\nLa Ni O\n4 4 12\ndirect\n0.498136 0.750009 0.002591 La\n0.998386 0.249626 0.502780 La\n0.501785 0.250023 0.997500 La\n0.001710 0.750298 0.497158 La\n0.499935 0.999978 0.500026 Ni\n0.999881 0.000047 0.000052 Ni\n0.000077 0.500045 0.999913 Ni\n0.500079 0.499966 0.500039 Ni\n0.776552 0.461682 0.735405 O\n0.276281 0.961697 0.235239 O\n0.995012 0.258933 0.071742 O\n0.495115 0.758958 0.571601 O\n0.732688 0.536353 0.220355 O\n0.232303 0.036203 0.720565 O\n0.223679 0.538340 0.264439 O\n0.723478 0.038287 0.764893 O\n0.267445 0.463611 0.779554 O\n0.767533 0.963806 0.279503 O\n0.005212 0.741127 0.928205 O\n0.504713 0.241010 0.428440 O\n",
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{
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"created_at": "2022-09-04T14:46:56.718002Z",
"structure_string": "Na3 Ta12 O24\n1.0\n-3.601856 5.190431 -3.259136\n3.601856 5.190431 3.259136\n7.191498 0.000000 -6.504852\nNa Ta O\n3 12 24\ndirect\n0.617230 0.382770 0.115576 Na\n0.905708 0.094292 0.405083 Na\n0.381328 0.618672 0.883213 Na\n0.101034 0.898966 0.100358 Ta\n0.601743 0.398257 0.603169 Ta\n0.396176 0.603824 0.397232 Ta\n0.899136 0.100864 0.897104 Ta\n0.596631 0.837206 0.619291 Ta\n0.104690 0.331223 0.112866 Ta\n0.668777 0.895310 0.112866 Ta\n0.162795 0.403369 0.619291 Ta\n0.329917 0.104289 0.885187 Ta\n0.837336 0.599491 0.381837 Ta\n0.400509 0.162664 0.381837 Ta\n0.895711 0.670083 0.885187 Ta\n0.586473 0.083686 0.249571 O\n0.082105 0.579422 0.753455 O\n0.420578 0.917895 0.753455 O\n0.916314 0.413527 0.249571 O\n0.808988 0.810059 0.499652 O\n0.326139 0.325858 0.999808 O\n0.189941 0.191012 0.499652 O\n0.674142 0.673861 0.999808 O\n0.179290 0.091578 0.235646 O\n0.679085 0.592605 0.734015 O\n0.129349 0.595276 0.452989 O\n0.629395 0.100289 0.957591 O\n0.091674 0.183369 0.765416 O\n0.592992 0.678521 0.265422 O\n0.598789 0.130272 0.544831 O\n0.099501 0.629064 0.042806 O\n0.816631 0.908326 0.765416 O\n0.321479 0.407008 0.265422 O\n0.869728 0.401211 0.544831 O\n0.370936 0.900499 0.042806 O\n0.908422 0.820710 0.235646 O\n0.407395 0.320915 0.734015 O\n0.404724 0.870651 0.452989 O\n0.899711 0.370605 0.957591 O\n",
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{
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"structure_string": "Na12 B36 O60\n1.0\n11.134614 0.000000 0.000000\n0.000000 9.157416 0.000000\n0.000000 0.172756 12.230454\nNa B O\n12 36 60\ndirect\n0.369346 0.100666 0.564188 Na\n0.630654 0.899334 0.435812 Na\n0.338770 0.558983 0.785460 Na\n0.130654 0.100666 0.064188 Na\n0.869346 0.899334 0.935812 Na\n0.406138 0.887676 0.920914 Na\n0.661230 0.441017 0.214540 Na\n0.161230 0.558983 0.285460 Na\n0.906138 0.112324 0.579086 Na\n0.838770 0.441017 0.714540 Na\n0.593862 0.112324 0.079086 Na\n0.093862 0.887676 0.420914 Na\n0.328768 0.858558 0.142248 B\n0.458766 0.215207 0.346933 B\n0.620563 0.703968 0.835261 B\n0.342572 0.748620 0.536847 B\n0.397993 0.354875 0.965418 B\n0.258172 0.141016 0.288815 B\n0.220361 0.513699 0.581757 B\n0.828768 0.141442 0.357752 B\n0.602007 0.645125 0.034582 B\n0.379437 0.296032 0.164739 B\n0.459076 0.180027 0.812730 B\n0.897993 0.645125 0.534582 B\n0.618230 0.223617 0.674495 B\n0.157428 0.748620 0.036847 B\n0.120563 0.296032 0.664739 B\n0.041234 0.215207 0.846933 B\n0.040924 0.180027 0.312730 B\n0.879437 0.703968 0.335261 B\n0.741828 0.858984 0.711185 B\n0.279639 0.513699 0.081757 B\n0.541234 0.784793 0.653067 B\n0.540924 0.819973 0.187270 B\n0.657428 0.251380 0.463153 B\n0.881770 0.223617 0.174495 B\n0.779639 0.486301 0.418243 B\n0.102007 0.354875 0.465418 B\n0.758172 0.858984 0.211185 B\n0.720361 0.486301 0.918243 B\n0.381770 0.776383 0.325505 B\n0.171232 0.858558 0.642248 B\n0.842572 0.251380 0.963153 B\n0.241828 0.141016 0.788815 B\n0.959076 0.819973 0.687270 B\n0.118230 0.776383 0.825505 B\n0.958766 0.784793 0.153067 B\n0.671232 0.141442 0.857752 B\n0.521165 0.719269 0.753237 O\n0.427591 0.325140 0.859690 O\n0.498883 0.203937 0.697797 O\n0.446737 0.893491 0.121007 O\n0.664861 0.274473 0.579718 O\n0.001117 0.203937 0.197797 O\n0.068099 0.273689 0.555274 O\n0.835139 0.274473 0.079718 O\n0.927591 0.674860 0.640310 O\n0.845227 0.847659 0.129561 O\n0.154773 0.152341 0.870439 O\n0.214914 0.183293 0.684158 O\n0.173426 0.480632 0.478538 O\n0.946737 0.106509 0.378993 O\n0.536968 0.199144 0.431526 O\n0.319750 0.439118 0.172922 O\n0.572409 0.674860 0.140310 O\n0.978835 0.719269 0.253237 O\n0.963032 0.199144 0.931526 O\n0.164861 0.725527 0.920282 O\n0.294917 0.805730 0.244630 O\n0.568099 0.726311 0.944726 O\n0.692279 0.384232 0.403140 O\n0.335139 0.725527 0.420282 O\n0.253915 0.871042 0.559742 O\n0.345227 0.152341 0.370439 O\n0.478835 0.280731 0.246763 O\n0.746085 0.128958 0.440258 O\n0.501117 0.796063 0.302203 O\n0.053263 0.893491 0.621007 O\n0.463032 0.800856 0.568474 O\n0.705083 0.194270 0.755370 O\n0.647729 0.914658 0.183559 O\n0.021165 0.280731 0.746763 O\n0.753915 0.128958 0.940258 O\n0.431901 0.273689 0.055274 O\n0.654773 0.847659 0.629561 O\n0.819750 0.560882 0.327078 O\n0.553263 0.106509 0.878993 O\n0.680250 0.560882 0.827078 O\n0.352271 0.085342 0.816441 O\n0.205083 0.805730 0.744630 O\n0.307721 0.615768 0.596860 O\n0.036968 0.800856 0.068474 O\n0.785086 0.816707 0.315842 O\n0.852271 0.914658 0.683559 O\n0.998883 0.796063 0.802203 O\n0.180250 0.439118 0.672922 O\n0.714914 0.816707 0.815842 O\n0.285086 0.183293 0.184158 O\n0.673426 0.519368 0.021462 O\n0.326574 0.480632 0.978538 O\n0.826574 0.519368 0.521462 O\n0.807721 0.384232 0.903140 O\n0.147729 0.085342 0.316441 O\n0.072409 0.325140 0.359690 O\n0.246085 0.871042 0.059742 O\n0.192279 0.615768 0.096860 O\n0.794917 0.194270 0.255370 O\n0.931901 0.726311 0.444726 O\n",
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