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{
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{
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{
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"structure_string": "Sr1 Al9 Co2\n1.0\n3.954047 -6.848610 0.000000\n3.954047 6.848610 0.000000\n0.000000 0.000000 3.912920\nSr Al Co\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.214179 0.428359 0.500000 Al\n0.785821 0.214179 0.500000 Al\n0.428359 0.214179 0.500000 Al\n0.571641 0.785821 0.500000 Al\n0.214179 0.785821 0.500000 Al\n0.785821 0.571641 0.500000 Al\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n",
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"formula_full": "Sr1 Al9 Co2",
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{
"id": "mp-1202713",
"created_at": "2022-09-04T14:40:23.798423Z",
"structure_string": "Ir8 Cl8 O8 F48\n1.0\n19.726956 0.000000 0.000000\n0.000000 5.690647 0.000000\n0.000000 2.148744 12.339645\nIr Cl O F\n8 8 8 48\ndirect\n0.384775 0.663656 0.084538 Ir\n0.884775 0.336344 0.415462 Ir\n0.615225 0.336344 0.915462 Ir\n0.115225 0.663656 0.584538 Ir\n0.390371 0.489528 0.671588 Ir\n0.890371 0.510472 0.828412 Ir\n0.609629 0.510472 0.328412 Ir\n0.109629 0.489528 0.171588 Ir\n0.278271 0.009463 0.313237 Cl\n0.778271 0.990537 0.186763 Cl\n0.721729 0.990537 0.686763 Cl\n0.221729 0.009463 0.813237 Cl\n0.279842 0.157815 0.443262 Cl\n0.779842 0.842185 0.056738 Cl\n0.720158 0.842185 0.556738 Cl\n0.220158 0.157815 0.943262 Cl\n0.420209 0.023107 0.336459 O\n0.920209 0.976893 0.163541 O\n0.579791 0.976893 0.663541 O\n0.079791 0.023107 0.836459 O\n0.422608 0.117248 0.416060 O\n0.922608 0.882752 0.083940 O\n0.577392 0.882752 0.583940 O\n0.077392 0.117248 0.916060 O\n0.393804 0.790367 0.936405 F\n0.893804 0.209633 0.563595 F\n0.606196 0.209633 0.063595 F\n0.106196 0.790367 0.436405 F\n0.374757 0.535439 0.233182 F\n0.874757 0.464561 0.266818 F\n0.625243 0.464561 0.766818 F\n0.125243 0.535439 0.733182 F\n0.331574 0.929439 0.105418 F\n0.831574 0.070561 0.394582 F\n0.668426 0.070561 0.894582 F\n0.168426 0.929439 0.605418 F\n0.437407 0.397398 0.066342 F\n0.937407 0.602602 0.433658 F\n0.562593 0.602602 0.933658 F\n0.062593 0.397398 0.566342 F\n0.304972 0.505120 0.053604 F\n0.804972 0.494880 0.446396 F\n0.695028 0.494880 0.946396 F\n0.195028 0.505120 0.553604 F\n0.462696 0.827283 0.117164 F\n0.962696 0.172717 0.382836 F\n0.537304 0.172717 0.882836 F\n0.037304 0.827283 0.617164 F\n0.408211 0.352959 0.816344 F\n0.908211 0.647041 0.683656 F\n0.591789 0.647041 0.183656 F\n0.091789 0.352959 0.316344 F\n0.340717 0.213975 0.653629 F\n0.840717 0.786025 0.846371 F\n0.659283 0.786025 0.346371 F\n0.159283 0.213975 0.153629 F\n0.311072 0.628862 0.717210 F\n0.811072 0.371138 0.782790 F\n0.688928 0.371138 0.282790 F\n0.188928 0.628862 0.217210 F\n0.469359 0.350765 0.624563 F\n0.969359 0.649235 0.875437 F\n0.530641 0.649235 0.375437 F\n0.030641 0.350765 0.124563 F\n0.370849 0.624969 0.526285 F\n0.870849 0.375031 0.973715 F\n0.629151 0.375031 0.473715 F\n0.129151 0.624969 0.026285 F\n0.440554 0.764093 0.687084 F\n0.940554 0.235907 0.812916 F\n0.559446 0.235907 0.312916 F\n0.059446 0.764093 0.187084 F\n",
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"volume": 1385.2379723840072,
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"formula_full": "Ir8 Cl8 O8 F48",
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{
"id": "mp-1020599",
"created_at": "2022-09-04T14:40:22.471479Z",
"structure_string": "Na20 B4 S16 O64\n1.0\n8.712752 0.000000 0.000000\n0.000000 9.417098 0.000000\n0.000000 0.000000 16.913152\nNa B S O\n20 4 16 64\ndirect\n0.777115 0.663011 0.208542 Na\n0.722885 0.336989 0.708542 Na\n0.277115 0.836989 0.791458 Na\n0.222885 0.163011 0.291458 Na\n0.330214 0.454928 0.424512 Na\n0.169786 0.545072 0.924512 Na\n0.830214 0.045072 0.575488 Na\n0.669786 0.954928 0.075488 Na\n0.972767 0.507457 0.561579 Na\n0.527233 0.492543 0.061579 Na\n0.472767 0.992543 0.438421 Na\n0.027233 0.007457 0.938421 Na\n0.153060 0.783312 0.343796 Na\n0.346940 0.216688 0.843796 Na\n0.653060 0.716688 0.656204 Na\n0.846940 0.283312 0.156204 Na\n0.828124 0.109574 0.367496 Na\n0.671876 0.890426 0.867496 Na\n0.328124 0.390426 0.632504 Na\n0.171876 0.609574 0.132504 Na\n0.719376 0.515086 0.382694 B\n0.780624 0.484914 0.882694 B\n0.219376 0.984914 0.617306 B\n0.280624 0.015086 0.117306 B\n0.999814 0.453131 0.300717 S\n0.500186 0.546869 0.800717 S\n0.499814 0.046869 0.699283 S\n0.000186 0.953131 0.199283 S\n0.793783 0.757752 0.459898 S\n0.706217 0.242248 0.959898 S\n0.293783 0.742248 0.540102 S\n0.206217 0.257752 0.040102 S\n0.558898 0.370465 0.266670 S\n0.941102 0.629535 0.766670 S\n0.058898 0.129535 0.733330 S\n0.441102 0.870465 0.233330 S\n0.671484 0.328302 0.505051 S\n0.828516 0.671698 0.005051 S\n0.171484 0.171698 0.494949 S\n0.328516 0.828302 0.994949 S\n0.120456 0.526542 0.344812 O\n0.379544 0.473458 0.844812 O\n0.620456 0.973458 0.655188 O\n0.879544 0.026542 0.155188 O\n0.007071 0.479118 0.214796 O\n0.492929 0.520882 0.714796 O\n0.507071 0.020882 0.785204 O\n0.992929 0.979118 0.285204 O\n0.991674 0.301159 0.318743 O\n0.508326 0.698841 0.818743 O\n0.491674 0.198841 0.681257 O\n0.008326 0.801159 0.181257 O\n0.721840 0.899385 0.455974 O\n0.778160 0.100615 0.955974 O\n0.221840 0.600615 0.544026 O\n0.278160 0.399385 0.044026 O\n0.799846 0.704059 0.541760 O\n0.700154 0.295941 0.041760 O\n0.299846 0.795941 0.458240 O\n0.200154 0.204059 0.958240 O\n0.942530 0.751809 0.421565 O\n0.557470 0.248191 0.921565 O\n0.442530 0.748191 0.578435 O\n0.057470 0.251809 0.078435 O\n0.659535 0.246577 0.274862 O\n0.840465 0.753423 0.774862 O\n0.159535 0.253423 0.725138 O\n0.340465 0.746577 0.225138 O\n0.395197 0.339526 0.265949 O\n0.104803 0.660474 0.765949 O\n0.895197 0.160474 0.734051 O\n0.604803 0.839526 0.234051 O\n0.607864 0.460472 0.199740 O\n0.892136 0.539528 0.699740 O\n0.107864 0.039528 0.800260 O\n0.392136 0.960472 0.300260 O\n0.770932 0.316438 0.575188 O\n0.729068 0.683562 0.075188 O\n0.270932 0.183562 0.424812 O\n0.229068 0.816438 0.924812 O\n0.527631 0.403555 0.519955 O\n0.972369 0.596445 0.019955 O\n0.027631 0.096445 0.480045 O\n0.472369 0.903555 0.980045 O\n0.650647 0.189330 0.466955 O\n0.849353 0.810670 0.966955 O\n0.150647 0.310670 0.533045 O\n0.349353 0.689330 0.033045 O\n0.841865 0.526558 0.321878 O\n0.658135 0.473442 0.821878 O\n0.341865 0.973442 0.678122 O\n0.158135 0.026558 0.178122 O\n0.679537 0.658364 0.411743 O\n0.820463 0.341636 0.911743 O\n0.179537 0.841636 0.588257 O\n0.320463 0.158364 0.088257 O\n0.574660 0.464233 0.345965 O\n0.925340 0.535767 0.845965 O\n0.074660 0.035767 0.654035 O\n0.425340 0.964233 0.154035 O\n0.774834 0.420213 0.446870 O\n0.725166 0.579787 0.946870 O\n0.274834 0.079787 0.553130 O\n0.225166 0.920213 0.053130 O\n",
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{
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{
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"structure_string": "Li2 Fe4 F12\n1.0\n4.756220 0.000000 0.000000\n0.000000 4.756220 0.000000\n0.000000 0.000000 9.416841\nLi Fe F\n2 4 12\ndirect\n0.000000 0.000000 0.665875 Li\n0.500000 0.500000 0.165875 Li\n0.000000 0.000000 0.335184 Fe\n0.500000 0.500000 0.835184 Fe\n0.000000 0.000000 0.001577 Fe\n0.500000 0.500000 0.501577 Fe\n0.695276 0.695276 0.656670 F\n0.804724 0.195276 0.156670 F\n0.195276 0.804724 0.156670 F\n0.304724 0.304724 0.656670 F\n0.290845 0.290845 0.002951 F\n0.209155 0.790845 0.502951 F\n0.790845 0.209155 0.502951 F\n0.709155 0.709155 0.002951 F\n0.306258 0.306258 0.342611 F\n0.193742 0.806258 0.842611 F\n0.806258 0.193742 0.842611 F\n0.693742 0.693742 0.342611 F\n",
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{
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{
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{
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{
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}