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{
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{
"id": "mp-1186275",
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{
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{
"id": "mp-1203691",
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"structure_string": "Fe7 Sb10 Br8 O18\n1.0\n10.120841 0.000000 0.000000\n4.324349 9.202427 0.000000\n4.455540 1.312809 9.224862\nFe Sb Br O\n7 10 8 18\ndirect\n0.854405 0.734558 0.699637 Fe\n0.145595 0.265442 0.300363 Fe\n0.517006 0.638305 0.868223 Fe\n0.482994 0.361695 0.131777 Fe\n0.158392 0.532691 0.405450 Fe\n0.841608 0.467309 0.594550 Fe\n0.500000 0.000000 0.000000 Fe\n0.165809 0.914876 0.521255 Sb\n0.834191 0.085124 0.478745 Sb\n0.170944 0.860264 0.133680 Sb\n0.829056 0.139736 0.866320 Sb\n0.481767 0.673180 0.230339 Sb\n0.518233 0.326820 0.769661 Sb\n0.823499 0.431734 0.966134 Sb\n0.176501 0.568266 0.033866 Sb\n0.813460 0.788361 0.348029 Sb\n0.186540 0.211639 0.651971 Sb\n0.141237 0.556933 0.682953 Br\n0.858763 0.443067 0.317047 Br\n0.522156 0.642099 0.606823 Br\n0.477844 0.357901 0.393177 Br\n0.782210 0.781051 0.986721 Br\n0.217790 0.218949 0.013279 Br\n0.567245 0.934855 0.716329 Br\n0.432755 0.065145 0.283671 Br\n0.759693 0.562227 0.795069 O\n0.240307 0.437773 0.204931 O\n0.061921 0.086223 0.388776 O\n0.938079 0.913777 0.611224 O\n0.905923 0.654707 0.497611 O\n0.094077 0.345293 0.502389 O\n0.567081 0.547450 0.074850 O\n0.432919 0.452550 0.925150 O\n0.246790 0.699882 0.293394 O\n0.753210 0.300118 0.706606 O\n0.597610 0.150122 0.906898 O\n0.402390 0.849878 0.093102 O\n0.022592 0.730376 0.187566 O\n0.977408 0.269624 0.812434 O\n0.872469 0.956497 0.346663 O\n0.127531 0.043503 0.653337 O\n0.281624 0.721826 0.980704 O\n0.718376 0.278174 0.019296 O\n",
"nsites": 43,
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"elements": [
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"volume": 859.1695191287457,
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"formula_full": "Fe7 Sb10 Br8 O18",
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},
{
"id": "mp-567406",
"created_at": "2022-09-04T14:39:14.350628Z",
"structure_string": "Sm1 Zn5\n1.0\n2.674570 -4.632491 0.000000\n2.674570 4.632491 0.000000\n0.000000 0.000000 4.261775\nSm Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n",
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"formula_full": "Sm1 Zn5",
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{
"id": "mp-1213951",
"created_at": "2022-09-04T14:39:14.380348Z",
"structure_string": "Cd2 H8 C8 S8 N12\n1.0\n-0.221317 0.000000 8.053245\n-6.687024 5.477386 0.502212\n-6.687024 -5.477386 0.502212\nCd H C S N\n2 8 8 8 12\ndirect\n0.250000 0.580318 0.419682 Cd\n0.750000 0.419682 0.580318 Cd\n0.617989 0.986654 0.879272 H\n0.382011 0.013346 0.120728 H\n0.882011 0.120728 0.013346 H\n0.117989 0.879272 0.986654 H\n0.223915 0.147736 0.172489 H\n0.776085 0.852264 0.827511 H\n0.276085 0.827511 0.852264 H\n0.723915 0.172489 0.147736 H\n0.081347 0.228400 0.535899 C\n0.918653 0.771600 0.464101 C\n0.418653 0.464101 0.771600 C\n0.581347 0.535899 0.228400 C\n0.118759 0.014551 0.762547 C\n0.881241 0.985449 0.237453 C\n0.381241 0.237453 0.985449 C\n0.618759 0.762547 0.014551 C\n0.234244 0.074305 0.583094 S\n0.765756 0.925695 0.416906 S\n0.265756 0.416906 0.925695 S\n0.734244 0.583094 0.074305 S\n0.078953 0.361872 0.358947 S\n0.921047 0.638128 0.641053 S\n0.421047 0.641053 0.638128 S\n0.578953 0.358947 0.361872 S\n0.165927 0.887785 0.871939 N\n0.834073 0.112215 0.128061 N\n0.334073 0.128061 0.112215 N\n0.665927 0.871939 0.887785 N\n0.018649 0.893666 0.220349 N\n0.981351 0.106334 0.779651 N\n0.481351 0.779651 0.106334 N\n0.518649 0.220349 0.893666 N\n0.037435 0.774991 0.349454 N\n0.962565 0.225009 0.650546 N\n0.462565 0.650546 0.225009 N\n0.537435 0.349454 0.774991 N\n",
"nsites": 38,
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"elements": [
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"C",
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],
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"density_atomic": 0.06454665579640569,
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"formula_full": "Cd2 H8 C8 S8 N12",
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{
"id": "mp-1203283",
"created_at": "2022-09-04T14:39:14.329145Z",
"structure_string": "Sc1 Ga40 Mo8\n1.0\n6.523956 -7.084750 0.000000\n6.523956 7.084750 0.000000\n-1.169792 0.000000 9.559669\nSc Ga Mo\n1 40 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.268665 0.636747 0.611681 Ga\n0.611681 0.268665 0.636747 Ga\n0.636747 0.611681 0.268665 Ga\n0.731335 0.363253 0.388319 Ga\n0.388319 0.731335 0.363253 Ga\n0.363253 0.388319 0.731335 Ga\n0.676039 0.779040 0.537058 Ga\n0.537058 0.676039 0.779040 Ga\n0.779040 0.537058 0.676039 Ga\n0.323961 0.220960 0.462942 Ga\n0.462942 0.323961 0.220960 Ga\n0.220960 0.462942 0.323961 Ga\n0.780060 0.072056 0.451902 Ga\n0.451902 0.780060 0.072056 Ga\n0.072056 0.451902 0.780060 Ga\n0.219940 0.927944 0.548098 Ga\n0.548098 0.219940 0.927944 Ga\n0.927944 0.548098 0.219940 Ga\n0.967046 0.785544 0.598244 Ga\n0.598244 0.967046 0.785544 Ga\n0.785544 0.598244 0.967046 Ga\n0.032954 0.214456 0.401756 Ga\n0.401756 0.032954 0.214456 Ga\n0.214456 0.401756 0.032954 Ga\n0.054454 0.732211 0.870080 Ga\n0.870080 0.054454 0.732211 Ga\n0.732211 0.870080 0.054454 Ga\n0.945546 0.267789 0.129920 Ga\n0.129920 0.945546 0.267789 Ga\n0.267789 0.129920 0.945546 Ga\n0.122892 0.174077 0.684532 Ga\n0.684532 0.122892 0.174077 Ga\n0.174077 0.684532 0.122892 Ga\n0.877108 0.825923 0.315468 Ga\n0.315468 0.877108 0.825923 Ga\n0.825923 0.315468 0.877108 Ga\n0.798753 0.798753 0.798753 Mo\n0.201247 0.201247 0.201247 Mo\n0.293748 0.611294 0.887458 Mo\n0.887458 0.293748 0.611294 Mo\n0.611294 0.887458 0.293748 Mo\n0.706252 0.388706 0.112542 Mo\n0.112542 0.706252 0.388706 Mo\n0.388706 0.112542 0.706252 Mo\n",
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{
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"structure_string": "Sm8 Eu4 Be4 O20\n1.0\n6.564842 0.000000 0.000000\n0.000000 7.215230 0.000000\n0.000000 0.065590 9.540000\nSm Eu Be O\n8 4 4 20\ndirect\n0.405142 0.249574 0.022286 Sm\n0.081104 0.522464 0.823870 Sm\n0.905142 0.750426 0.477714 Sm\n0.094858 0.249574 0.522286 Sm\n0.581104 0.477536 0.676130 Sm\n0.594858 0.750426 0.977714 Sm\n0.418896 0.522464 0.323870 Sm\n0.918896 0.477536 0.176130 Sm\n0.580231 0.020769 0.672674 Eu\n0.419769 0.979231 0.327326 Eu\n0.919769 0.020769 0.172674 Eu\n0.080231 0.979231 0.827326 Eu\n0.192965 0.746143 0.099799 Be\n0.692965 0.253857 0.400201 Be\n0.807035 0.253857 0.900201 Be\n0.307035 0.746143 0.599799 Be\n0.479317 0.268011 0.490571 O\n0.520683 0.731989 0.509429 O\n0.333726 0.272806 0.779275 O\n0.306993 0.940190 0.066573 O\n0.020683 0.268011 0.990571 O\n0.666274 0.727194 0.220725 O\n0.683283 0.443095 0.931015 O\n0.693007 0.059810 0.933427 O\n0.133640 0.732599 0.274114 O\n0.166274 0.272806 0.279275 O\n0.316717 0.556905 0.068985 O\n0.183283 0.556905 0.568985 O\n0.979317 0.731989 0.009429 O\n0.633640 0.267401 0.225886 O\n0.816717 0.443095 0.431015 O\n0.806993 0.059810 0.433427 O\n0.193007 0.940190 0.566573 O\n0.366360 0.732599 0.774114 O\n0.866360 0.267401 0.725886 O\n0.833726 0.727194 0.720725 O\n",
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{
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"structure_string": "Li6 Fe4 P6 O24\n1.0\n7.994376 -4.211959 0.000000\n7.994376 4.211959 0.000000\n5.775241 0.000000 6.949621\nLi Fe P O\n6 4 6 24\ndirect\n0.075801 0.334264 0.736642 Li\n0.334264 0.736642 0.075801 Li\n0.736642 0.075801 0.334264 Li\n0.924199 0.665736 0.263358 Li\n0.665736 0.263358 0.924199 Li\n0.263358 0.924199 0.665736 Li\n0.146586 0.146586 0.146586 Fe\n0.853414 0.853414 0.853414 Fe\n0.651627 0.651627 0.651627 Fe\n0.348373 0.348373 0.348373 Fe\n0.957470 0.251770 0.539622 P\n0.251770 0.539622 0.957470 P\n0.539622 0.957470 0.251770 P\n0.042530 0.748230 0.460378 P\n0.748230 0.460378 0.042530 P\n0.460378 0.042530 0.748230 P\n0.991588 0.202625 0.384911 O\n0.202625 0.384911 0.991588 O\n0.384911 0.991588 0.202625 O\n0.008412 0.797375 0.615089 O\n0.797375 0.615089 0.008412 O\n0.615089 0.008412 0.797375 O\n0.845053 0.790349 0.463372 O\n0.790349 0.463372 0.845053 O\n0.463372 0.845053 0.790349 O\n0.154947 0.209651 0.536628 O\n0.209651 0.536628 0.154947 O\n0.536628 0.154947 0.209651 O\n0.832474 0.468175 0.507537 O\n0.468175 0.507537 0.832474 O\n0.507537 0.832474 0.468175 O\n0.167526 0.531825 0.492463 O\n0.531825 0.492463 0.167526 O\n0.492463 0.167526 0.531825 O\n0.137024 0.875032 0.254485 O\n0.875032 0.254485 0.137024 O\n0.254485 0.137024 0.875032 O\n0.862976 0.124968 0.745515 O\n0.124968 0.745515 0.862976 O\n0.745515 0.862976 0.124968 O\n",
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{
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{
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{
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"structure_string": "Eu8 I16\n1.0\n7.925811 0.000000 0.000000\n0.000000 8.260417 0.000000\n0.000000 0.000000 15.310754\nEu I\n8 16\ndirect\n0.222815 0.448020 0.390229 Eu\n0.277185 0.948020 0.609771 Eu\n0.777185 0.551980 0.609771 Eu\n0.222815 0.948020 0.109771 Eu\n0.722815 0.051980 0.390229 Eu\n0.722815 0.551980 0.109771 Eu\n0.277185 0.448020 0.890229 Eu\n0.777185 0.051980 0.890229 Eu\n0.662651 0.393046 0.797569 I\n0.993762 0.231471 0.533629 I\n0.506238 0.231471 0.033629 I\n0.506238 0.731471 0.466371 I\n0.162651 0.106954 0.797569 I\n0.162651 0.606954 0.702431 I\n0.837349 0.393046 0.297569 I\n0.993762 0.731471 0.966371 I\n0.493762 0.268529 0.533629 I\n0.493762 0.768529 0.966371 I\n0.337349 0.106954 0.297569 I\n0.662651 0.893046 0.702431 I\n0.006238 0.768529 0.466371 I\n0.006238 0.268529 0.033629 I\n0.337349 0.606954 0.202431 I\n0.837349 0.893046 0.202431 I\n",
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{
"id": "mp-1076680",
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"structure_string": "Sr16 Ca16 Ti8 Mn24 O80\n1.0\n-0.004546 -0.011969 11.082246\n11.283434 0.002135 -0.004575\n-5.636247 15.608809 -5.555274\nSr Ca Ti Mn O\n16 16 8 24 80\ndirect\n0.309344 0.560740 0.610247 Sr\n0.807639 0.060284 0.608166 Sr\n0.809997 0.560045 0.609948 Sr\n0.196670 0.437056 0.388448 Sr\n0.192400 0.437383 0.889068 Sr\n0.697551 0.438950 0.387567 Sr\n0.699264 0.935817 0.386524 Sr\n0.695443 0.936205 0.888325 Sr\n0.060292 0.298799 0.609919 Sr\n0.060183 0.798951 0.609190 Sr\n0.558334 0.300248 0.609963 Sr\n0.559976 0.797094 0.610002 Sr\n0.446611 0.201159 0.386998 Sr\n0.440930 0.198891 0.886013 Sr\n0.947474 0.199418 0.388416 Sr\n0.948752 0.204883 0.889911 Sr\n0.300417 0.070893 0.109566 Ca\n0.305104 0.061294 0.605328 Ca\n0.304422 0.563467 0.112861 Ca\n0.803624 0.067376 0.108463 Ca\n0.802677 0.568619 0.114403 Ca\n0.194556 0.933310 0.391086 Ca\n0.196754 0.936645 0.892606 Ca\n0.698784 0.438372 0.894498 Ca\n0.055594 0.288191 0.109142 Ca\n0.051642 0.800369 0.112674 Ca\n0.548000 0.291058 0.108960 Ca\n0.554247 0.794311 0.109766 Ca\n0.447981 0.704269 0.391187 Ca\n0.443039 0.705542 0.891254 Ca\n0.947030 0.706933 0.392185 Ca\n0.943604 0.701900 0.893152 Ca\n0.003537 0.997866 0.998527 Ti\n0.006187 0.504834 0.009051 Ti\n0.501354 0.996586 0.000989 Ti\n0.503081 0.997610 0.497994 Ti\n0.503312 0.503051 0.001595 Ti\n0.253356 0.751854 0.004506 Ti\n0.751077 0.254132 0.002221 Ti\n0.755082 0.749358 0.001914 Ti\n0.006620 0.996803 0.498019 Mn\n0.004310 0.500765 0.498263 Mn\n0.503883 0.500841 0.498570 Mn\n0.255534 0.252139 0.001964 Mn\n0.254529 0.245951 0.499135 Mn\n0.255575 0.750165 0.498262 Mn\n0.753348 0.249235 0.497970 Mn\n0.755196 0.748028 0.497241 Mn\n0.105268 0.090968 0.246629 Mn\n0.113482 0.092282 0.750089 Mn\n0.109100 0.595981 0.249989 Mn\n0.115631 0.603281 0.754234 Mn\n0.604229 0.090851 0.242907 Mn\n0.607529 0.100748 0.749062 Mn\n0.609163 0.591923 0.246361 Mn\n0.612917 0.595721 0.754583 Mn\n0.355559 0.406845 0.248510 Mn\n0.366738 0.407054 0.752563 Mn\n0.356966 0.902081 0.247738 Mn\n0.360878 0.903668 0.749765 Mn\n0.856245 0.404814 0.246033 Mn\n0.858915 0.411169 0.756732 Mn\n0.862381 0.903296 0.245843 Mn\n0.865628 0.903594 0.750371 Mn\n0.127927 0.115790 0.490635 O\n0.123582 0.112577 0.993470 O\n0.121874 0.625428 0.485394 O\n0.124412 0.625957 0.988575 O\n0.622557 0.119835 0.490425 O\n0.628363 0.125438 0.993560 O\n0.621258 0.622676 0.487723 O\n0.629040 0.621346 0.987631 O\n0.131329 0.390532 0.015947 O\n0.134251 0.371733 0.504897 O\n0.142524 0.880616 0.018509 O\n0.137240 0.880200 0.506402 O\n0.642816 0.383368 0.019334 O\n0.630356 0.375498 0.502675 O\n0.641511 0.877964 0.016734 O\n0.630702 0.875770 0.504872 O\n0.370311 0.111824 0.486248 O\n0.378088 0.109297 0.990960 O\n0.375520 0.621324 0.488397 O\n0.379999 0.621030 0.987662 O\n0.876278 0.120739 0.494249 O\n0.877735 0.118194 0.993086 O\n0.873264 0.623703 0.488679 O\n0.876271 0.617633 0.987868 O\n0.394102 0.394037 0.017686 O\n0.380024 0.375360 0.503489 O\n0.392586 0.884362 0.018329 O\n0.383508 0.882694 0.509844 O\n0.887539 0.389444 0.017403 O\n0.879129 0.376195 0.503623 O\n0.891841 0.883675 0.017253 O\n0.884029 0.876879 0.504727 O\n0.082731 0.089642 0.132907 O\n0.080500 0.077818 0.632822 O\n0.080089 0.603235 0.128845 O\n0.072807 0.583012 0.632238 O\n0.584706 0.093199 0.128706 O\n0.574057 0.083656 0.625077 O\n0.586745 0.600251 0.127404 O\n0.572895 0.578530 0.630826 O\n0.434880 0.417684 0.364095 O\n0.461020 0.412461 0.877520 O\n0.445070 0.907047 0.369551 O\n0.454895 0.908287 0.876952 O\n0.934707 0.414790 0.361509 O\n0.944438 0.416287 0.872516 O\n0.948377 0.909397 0.367565 O\n0.954003 0.904009 0.876432 O\n0.335954 0.292464 0.137936 O\n0.326631 0.287814 0.630463 O\n0.332411 0.776056 0.126575 O\n0.320245 0.790801 0.627039 O\n0.836367 0.288641 0.130370 O\n0.825011 0.309433 0.641501 O\n0.836604 0.777737 0.126566 O\n0.823165 0.793939 0.627534 O\n0.184682 0.195614 0.361738 O\n0.190795 0.204808 0.864669 O\n0.203668 0.713773 0.369520 O\n0.207519 0.721206 0.877112 O\n0.682999 0.189185 0.358506 O\n0.699199 0.219103 0.878436 O\n0.698317 0.702424 0.367607 O\n0.711803 0.713662 0.876329 O\n0.422304 0.069299 0.238715 O\n0.420008 0.072049 0.744032 O\n0.422116 0.569177 0.247436 O\n0.432578 0.583034 0.759975 O\n0.923560 0.073192 0.239607 O\n0.938051 0.072436 0.751433 O\n0.922101 0.571336 0.249041 O\n0.934362 0.574029 0.761204 O\n0.171824 0.419056 0.239635 O\n0.185314 0.437647 0.752891 O\n0.170278 0.927966 0.247885 O\n0.181947 0.932568 0.760935 O\n0.672017 0.416554 0.238103 O\n0.682895 0.425924 0.760403 O\n0.674438 0.929041 0.239172 O\n0.686002 0.937646 0.752919 O\n",
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}
]
}