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{
"id": "mp-1194858",
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{
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"structure_string": "Na1 La1 V1 Sb1 O6\n1.0\n0.000000 -4.002709 -4.002709\n4.002709 0.000000 -4.002709\n4.002709 -4.002709 -0.000000\nNa La V Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Sb\n0.751423 0.248577 0.248577 O\n0.248577 0.751423 0.751423 O\n0.751423 0.248577 0.751423 O\n0.248577 0.751423 0.248577 O\n0.751423 0.751423 0.248577 O\n0.248577 0.248577 0.751423 O\n",
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"formula_full": "Na1 La1 V1 Sb1 O6",
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{
"id": "mp-1043436",
"created_at": "2022-09-04T14:46:55.760150Z",
"structure_string": "Sr4 Y2 Cu4 Mo2 O14\n1.0\n11.852998 3.880271 0.000000\n-11.852998 3.880271 0.000000\n0.000000 3.878921 3.959752\nSr Y Cu Mo O\n4 2 4 2 14\ndirect\n0.386075 0.168467 0.984063 Sr\n0.629782 0.841459 0.027209 Sr\n0.841459 0.629782 0.027209 Sr\n0.168466 0.386075 0.984063 Sr\n0.995250 0.497719 0.019538 Y\n0.497719 0.995250 0.019538 Y\n0.435765 0.060452 0.517822 Cu\n0.566770 0.940320 0.512217 Cu\n0.940320 0.566770 0.512217 Cu\n0.060452 0.435765 0.517822 Cu\n0.853639 0.853639 0.434317 Mo\n0.159644 0.159644 0.535482 Mo\n0.210518 0.210518 0.104375 O\n0.874178 0.874178 0.037063 O\n0.673010 0.294371 0.016030 O\n0.335114 0.706079 0.475084 O\n0.706079 0.335114 0.475084 O\n0.294371 0.673010 0.016030 O\n0.204938 0.833573 0.014894 O\n0.792407 0.168681 0.555455 O\n0.168681 0.792407 0.555455 O\n0.833573 0.204938 0.014894 O\n0.785395 0.636680 0.591501 O\n0.186805 0.336531 0.477584 O\n0.336531 0.186805 0.477584 O\n0.636680 0.785395 0.591501 O\n",
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"formula_full": "Sr4 Y2 Cu4 Mo2 O14",
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{
"id": "mp-1043887",
"created_at": "2022-09-04T14:47:00.281950Z",
"structure_string": "Ca2 La2 Fe2 Bi2 O12\n1.0\n5.901272 0.000122 -0.000101\n0.000117 5.693437 0.038456\n-0.000139 0.054145 8.216984\nCa La Fe Bi O\n2 2 2 2 12\ndirect\n0.555635 0.520106 0.251191 Ca\n0.944361 0.020114 0.751181 Ca\n0.054295 0.983071 0.248929 La\n0.445709 0.483075 0.748918 La\n0.501927 0.998560 0.000474 Fe\n0.998043 0.498566 0.500481 Fe\n0.503011 0.999937 0.498605 Bi\n0.996996 0.499940 0.998607 Bi\n0.043321 0.616406 0.736026 O\n0.213588 0.185047 0.938474 O\n0.190788 0.213586 0.558993 O\n0.309235 0.713569 0.058994 O\n0.286413 0.685064 0.438477 O\n0.456686 0.116421 0.236029 O\n0.548097 0.887750 0.763737 O\n0.716488 0.312128 0.563621 O\n0.691802 0.283382 0.939956 O\n0.808197 0.783358 0.439948 O\n0.783512 0.812157 0.063621 O\n0.951895 0.387761 0.263738 O\n",
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"formula_full": "Ca2 La2 Fe2 Bi2 O12",
"formula_reduced": "CaLaFeBiO6",
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{
"id": "mp-753065",
"created_at": "2022-09-04T14:46:57.856195Z",
"structure_string": "Li4 Mn3 V3 W2 O16\n1.0\n3.052400 5.271680 0.000000\n-3.052400 5.271680 0.000000\n0.000000 0.220157 9.843355\nLi Mn V W O\n4 3 3 2 16\ndirect\n0.340225 0.340225 0.909500 Li\n0.993238 0.993238 0.987132 Li\n0.994266 0.994266 0.487740 Li\n0.671535 0.671535 0.405116 Li\n0.168474 0.168474 0.210904 Mn\n0.338129 0.829476 0.708594 Mn\n0.829476 0.338129 0.708594 Mn\n0.163761 0.657058 0.216052 V\n0.657058 0.163761 0.216052 V\n0.825420 0.825420 0.723676 V\n0.334000 0.334000 0.486531 W\n0.663104 0.663104 0.988975 W\n0.168494 0.644804 0.588847 O\n0.479672 0.479672 0.350408 O\n0.344227 0.344227 0.110092 O\n0.992345 0.992345 0.301524 O\n0.985532 0.985532 0.797982 O\n0.644804 0.168494 0.588847 O\n0.044614 0.489490 0.351730 O\n0.489490 0.044614 0.351730 O\n0.821408 0.821408 0.094275 O\n0.171317 0.171317 0.577057 O\n0.538973 0.960629 0.854467 O\n0.960629 0.538973 0.854467 O\n0.688465 0.688465 0.610326 O\n0.344475 0.819101 0.084892 O\n0.526597 0.526597 0.857421 O\n0.819101 0.344475 0.084892 O\n",
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"formula_full": "Li4 Mn3 V3 W2 O16",
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{
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"structure_string": "Ba1 Y1 Cu1 Sn1 O5\n1.0\n3.987446 0.000000 0.000000\n0.000000 3.987446 0.000000\n0.000000 0.000000 8.491547\nBa Y Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.033726 Ba\n0.000000 0.000000 0.442620 Y\n0.500000 0.500000 0.277196 Cu\n0.500000 0.500000 0.699467 Sn\n0.000000 0.500000 0.619644 O\n0.500000 0.000000 0.619644 O\n0.000000 0.500000 0.280124 O\n0.500000 0.000000 0.280124 O\n0.500000 0.500000 0.935372 O\n",
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{
"id": "mp-1199172",
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"structure_string": "K18 Cu2 S16 N4 O36\n1.0\n-6.631623 6.631623 7.842959\n6.631623 -6.631623 7.842959\n6.631623 6.631623 -7.842959\nK Cu S N O\n18 2 16 4 36\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.006999 0.506999 0.500000 K\n0.743001 0.743001 0.000000 K\n0.493001 0.993001 0.500000 K\n0.256999 0.256999 0.000000 K\n0.912648 0.625000 0.787648 K\n0.837352 0.125000 0.212352 K\n0.875000 0.087352 0.712352 K\n0.375000 0.162648 0.287648 K\n0.003517 0.946283 0.450454 K\n0.254171 0.303717 0.557234 K\n0.495829 0.553063 0.549546 K\n0.746483 0.696937 0.442766 K\n0.446937 0.996483 0.942766 K\n0.696283 0.253517 0.950454 K\n0.053717 0.504171 0.057234 K\n0.303063 0.745829 0.049546 K\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.960508 0.254800 0.555440 S\n0.050640 0.995200 0.205708 S\n0.699360 0.405068 0.444560 S\n0.789492 0.844932 0.794292 S\n0.594932 0.039492 0.294292 S\n0.004800 0.210508 0.055440 S\n0.745200 0.300640 0.705708 S\n0.155068 0.949360 0.944560 S\n0.100931 0.387215 0.769605 S\n0.132390 0.862785 0.213716 S\n0.617610 0.331326 0.230395 S\n0.649069 0.918674 0.786284 S\n0.668674 0.899069 0.286284 S\n0.137215 0.350931 0.269605 S\n0.612785 0.382390 0.713716 S\n0.081326 0.867610 0.730395 S\n0.361356 0.125000 0.736356 N\n0.388644 0.625000 0.263644 N\n0.375000 0.638644 0.763644 N\n0.875000 0.611356 0.236356 N\n0.404744 0.201327 0.867863 O\n0.416536 0.048673 0.703417 O\n0.333464 0.536880 0.132137 O\n0.345256 0.713120 0.296583 O\n0.463120 0.595256 0.796583 O\n0.951327 0.654744 0.367863 O\n0.798673 0.666536 0.203417 O\n0.286880 0.583464 0.632137 O\n0.266821 0.125000 0.641821 O\n0.483179 0.625000 0.358179 O\n0.375000 0.733179 0.858179 O\n0.875000 0.516821 0.141821 O\n0.081831 0.511428 0.815310 O\n0.053882 0.738572 0.070403 O\n0.696118 0.266521 0.184690 O\n0.668169 0.983479 0.929597 O\n0.733479 0.918169 0.429597 O\n0.261428 0.331831 0.315310 O\n0.488572 0.303882 0.570403 O\n0.016521 0.946118 0.684690 O\n0.233275 0.411310 0.790957 O\n0.129647 0.838690 0.321965 O\n0.620353 0.442317 0.209043 O\n0.516725 0.807683 0.678035 O\n0.557683 0.766725 0.178035 O\n0.161310 0.483275 0.290957 O\n0.588690 0.379647 0.821965 O\n0.192317 0.870353 0.709043 O\n0.079164 0.325051 0.845207 O\n0.270156 0.924949 0.254113 O\n0.479844 0.233958 0.154793 O\n0.670836 0.016042 0.745887 O\n0.766042 0.920836 0.245887 O\n0.075051 0.329164 0.345207 O\n0.674949 0.520156 0.754113 O\n0.983958 0.729844 0.654793 O\n",
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"formula_full": "K18 Cu2 S16 N4 O36",
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{
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"structure_string": "H32 C4 Br4 N20 O12\n1.0\n8.214022 0.000000 0.000000\n0.000000 12.953878 0.000000\n-3.841612 0.000000 7.113262\nH C Br N O\n32 4 4 20 12\ndirect\n0.468843 0.625049 0.393453 H\n0.531157 0.125049 0.106547 H\n0.531157 0.374951 0.606547 H\n0.468843 0.874951 0.893453 H\n0.260441 0.667404 0.374310 H\n0.739559 0.167404 0.125690 H\n0.739559 0.332596 0.625690 H\n0.260441 0.832596 0.874310 H\n0.013769 0.279231 0.236573 H\n0.986231 0.779231 0.263427 H\n0.986231 0.720769 0.763427 H\n0.013769 0.220769 0.736573 H\n0.255053 0.439849 0.839257 H\n0.744947 0.939849 0.660743 H\n0.744947 0.560151 0.160743 H\n0.255053 0.060151 0.339257 H\n0.316868 0.540834 0.408249 H\n0.683132 0.040834 0.091751 H\n0.683132 0.459166 0.591751 H\n0.316868 0.959166 0.908249 H\n0.990035 0.199871 0.077949 H\n0.009965 0.699871 0.422051 H\n0.009965 0.800129 0.922051 H\n0.990035 0.300129 0.577949 H\n0.101248 0.543570 0.802664 H\n0.898752 0.043570 0.697336 H\n0.898752 0.456430 0.197336 H\n0.101248 0.956430 0.302664 H\n0.187877 0.657497 0.063391 H\n0.812123 0.157497 0.436609 H\n0.812123 0.342503 0.936609 H\n0.187877 0.842503 0.563391 H\n0.292310 0.509772 0.077880 C\n0.707690 0.009772 0.422120 C\n0.707690 0.490228 0.922120 C\n0.292310 0.990228 0.577880 C\n0.181953 0.112419 0.970947 Br\n0.818047 0.612419 0.529053 Br\n0.818047 0.887581 0.029053 Br\n0.181953 0.387581 0.470947 Br\n0.424202 0.451386 0.212606 N\n0.575798 0.951386 0.287394 N\n0.575798 0.548614 0.787394 N\n0.424202 0.048614 0.712606 N\n0.490715 0.368763 0.161141 N\n0.509285 0.868763 0.338859 N\n0.509285 0.631237 0.838859 N\n0.490715 0.131237 0.661141 N\n0.233537 0.591071 0.145226 N\n0.766463 0.091071 0.354774 N\n0.766463 0.408929 0.854774 N\n0.233537 0.908929 0.645226 N\n0.328788 0.607770 0.342390 N\n0.671212 0.107770 0.157610 N\n0.671212 0.392230 0.657610 N\n0.328788 0.892230 0.842390 N\n0.209451 0.498108 0.892112 N\n0.790549 0.998108 0.607888 N\n0.790549 0.501892 0.107888 N\n0.209451 0.001892 0.392112 N\n0.442911 0.346121 0.992664 O\n0.557089 0.846121 0.507336 O\n0.557089 0.653879 0.007336 O\n0.442911 0.153879 0.492664 O\n0.608772 0.316501 0.294650 O\n0.391228 0.816501 0.205350 O\n0.391228 0.683499 0.705350 O\n0.608772 0.183499 0.794650 O\n0.919038 0.243772 0.121250 O\n0.080962 0.743772 0.378750 O\n0.080962 0.756228 0.878750 O\n0.919038 0.256228 0.621250 O\n",
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{
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"structure_string": "Na6 Sr14 Ti14 Nb6 O60\n1.0\n6.863013 0.000000 0.000000\n-2.290493 6.481136 0.000000\n-2.304057 -3.225595 28.082390\nNa Sr Ti Nb O\n6 14 14 6 60\ndirect\n0.101490 0.101874 0.201228 Na\n0.599273 0.599636 0.201017 Na\n0.700047 0.700075 0.399822 Na\n0.299903 0.299905 0.599840 Na\n0.899737 0.899728 0.799722 Na\n0.000938 0.000571 0.999451 Na\n0.300919 0.801692 0.100720 Sr\n0.899226 0.400221 0.299942 Sr\n0.800249 0.299627 0.100745 Sr\n0.499807 0.999846 0.499805 Sr\n0.400717 0.899642 0.299942 Sr\n0.199470 0.199517 0.399543 Sr\n0.099804 0.599825 0.699834 Sr\n0.000004 0.499950 0.499807 Sr\n0.799922 0.799920 0.599847 Sr\n0.600004 0.099995 0.699832 Sr\n0.400335 0.400266 0.800059 Sr\n0.700601 0.198554 0.899661 Sr\n0.498579 0.497809 0.998832 Sr\n0.198988 0.701106 0.899667 Sr\n0.402212 0.401771 0.300344 Ti\n0.897772 0.897515 0.298610 Ti\n0.299281 0.302995 0.102383 Ti\n0.104780 0.597594 0.202742 Ti\n0.999005 0.000549 0.499497 Ti\n0.500423 0.498879 0.499427 Ti\n0.700275 0.198854 0.399190 Ti\n0.598942 0.600385 0.699466 Ti\n0.299635 0.799591 0.599180 Ti\n0.100560 0.099035 0.699526 Ti\n0.195003 0.196211 0.898502 Ti\n0.703514 0.703360 0.900146 Ti\n0.898983 0.400282 0.799211 Ti\n0.493915 0.004213 0.999297 Ti\n0.803363 0.802454 0.101248 Nb\n0.596743 0.104413 0.201476 Nb\n0.199263 0.700436 0.399794 Nb\n0.799969 0.299946 0.599881 Nb\n0.400461 0.899357 0.799769 Nb\n0.002746 0.495545 0.999235 Nb\n0.404177 0.150532 0.049950 O\n0.899000 0.646602 0.050120 O\n0.953217 0.695025 0.148969 O\n0.547486 0.546735 0.098579 O\n0.152589 0.403251 0.050725 O\n0.347772 0.848935 0.199649 O\n0.253727 0.748187 0.999860 O\n0.451505 0.196853 0.148353 O\n0.501640 0.251045 0.251486 O\n0.645591 0.899110 0.050361 O\n0.051950 0.052368 0.099774 O\n0.151009 0.150544 0.300952 O\n0.548239 0.294896 0.349503 O\n0.695207 0.952594 0.149302 O\n0.748275 0.002640 0.251381 O\n0.950716 0.446570 0.400294 O\n0.053168 0.801647 0.349117 O\n0.851560 0.350366 0.199417 O\n0.104134 0.853194 0.450703 O\n0.247930 0.503601 0.251062 O\n0.649382 0.650070 0.300120 O\n0.198414 0.451084 0.148353 O\n0.750970 0.750368 0.501181 O\n0.148381 0.894808 0.549642 O\n0.296027 0.546659 0.349318 O\n0.346644 0.598630 0.450873 O\n0.550865 0.046695 0.600309 O\n0.449500 0.953668 0.400055 O\n0.652976 0.401869 0.549244 O\n0.704144 0.453194 0.650736 O\n0.852275 0.104924 0.450834 O\n0.249215 0.249811 0.499176 O\n0.802016 0.055140 0.349793 O\n0.002546 0.746645 0.250836 O\n0.596554 0.848509 0.949436 O\n0.748366 0.494765 0.749636 O\n0.350965 0.350375 0.701184 O\n0.896368 0.146484 0.549465 O\n0.946678 0.198673 0.650957 O\n0.150880 0.646742 0.800318 O\n0.049318 0.553502 0.600067 O\n0.253040 0.001925 0.749286 O\n0.304214 0.053126 0.850680 O\n0.452351 0.704870 0.650900 O\n0.849223 0.849822 0.699166 O\n0.402271 0.654945 0.549854 O\n0.597472 0.345924 0.450611 O\n0.353969 0.100787 0.949327 O\n0.950884 0.950159 0.899921 O\n0.496314 0.746436 0.749452 O\n0.546509 0.798642 0.850849 O\n0.746526 0.251592 0.000102 O\n0.649280 0.153396 0.800079 O\n0.848274 0.596014 0.949197 O\n0.449291 0.449746 0.900138 O\n0.052396 0.304747 0.850879 O\n0.197498 0.945964 0.650698 O\n0.002352 0.254945 0.749878 O\n0.102196 0.350886 0.949079 O\n0.797704 0.545619 0.850575 O\n",
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{
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"structure_string": "Li1 Nb2 Te4 Cl10 O1\n1.0\n7.036855 -0.072674 0.274952\n2.346232 8.450828 1.314036\n-0.418607 -0.133927 9.568641\nLi Nb Te Cl O\n1 2 4 10 1\ndirect\n0.994328 0.642427 0.492956 Li\n0.522942 0.641852 0.629428 Nb\n0.488119 0.362905 0.357627 Nb\n0.186262 0.910382 0.147428 Te\n0.070357 0.194308 0.978472 Te\n0.919689 0.801577 0.004344 Te\n0.799519 0.086163 0.838981 Te\n0.444366 0.200224 0.182247 Cl\n0.415974 0.484874 0.811171 Cl\n0.794664 0.202921 0.433461 Cl\n0.143194 0.552524 0.283166 Cl\n0.603908 0.527246 0.185360 Cl\n0.310333 0.236417 0.518780 Cl\n0.868590 0.494436 0.689880 Cl\n0.662147 0.804478 0.454722 Cl\n0.197041 0.808804 0.567185 Cl\n0.551394 0.824651 0.800924 Cl\n0.499396 0.509524 0.495297 O\n",
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{
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"structure_string": "Ca1 Ti1 H6 O2 F6\n1.0\n-0.193935 -0.111968 -5.502603\n-2.812307 -5.312782 -0.146059\n-3.194850 5.533643 0.000000\nCa Ti H O F\n1 1 6 2 6\ndirect\n0.000000 0.000000 0.497399 Ca\n0.000000 0.000000 0.998938 Ti\n0.535288 0.719288 0.296876 H\n0.732309 0.485378 0.176603 H\n0.267691 0.514622 0.691226 H\n0.696766 0.654431 0.577548 H\n0.303234 0.345569 0.923116 H\n0.464712 0.280712 0.577587 H\n0.691319 0.658904 0.331487 O\n0.308681 0.341096 0.672584 O\n0.723043 0.676898 0.741508 F\n0.768789 0.144494 0.308241 F\n0.231210 0.855506 0.163747 F\n0.804196 0.204320 0.871187 F\n0.195803 0.795680 0.666867 F\n0.276956 0.323102 0.064611 F\n",
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}