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{
"id": "mp-776214",
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"structure_string": "Hf16 N16 O8\n1.0\n8.724317 0.000000 0.000000\n-2.926717 8.229436 0.000000\n-2.899839 -4.089945 7.138547\nHf N O\n16 16 8\ndirect\n0.751862 0.967368 0.207448 Hf\n0.995709 0.988513 0.990003 Hf\n0.029925 0.775546 0.243705 Hf\n0.528478 0.278967 0.253796 Hf\n0.502191 0.502741 0.003219 Hf\n0.489169 0.991385 0.488770 Hf\n0.258943 0.541922 0.289747 Hf\n0.297228 0.266746 0.547733 Hf\n0.712369 0.746403 0.461578 Hf\n0.785634 0.251316 0.044475 Hf\n0.205925 0.747281 0.959804 Hf\n0.749794 0.462196 0.715748 Hf\n0.010262 0.499042 0.500925 Hf\n0.972911 0.216502 0.750106 Hf\n0.466236 0.716374 0.743959 Hf\n0.240776 0.028093 0.787181 Hf\n0.731797 0.968725 0.960778 N\n0.757109 0.226177 0.274191 N\n0.452521 0.481963 0.224813 N\n0.771988 0.734393 0.241318 N\n0.493116 0.229133 0.460569 N\n0.228832 0.270967 0.763686 N\n0.986547 0.531711 0.257184 N\n0.513015 0.776907 0.545163 N\n0.953145 0.729100 0.967401 N\n0.548538 0.515444 0.778540 N\n0.225370 0.449876 0.484333 N\n0.278976 0.767211 0.228010 N\n0.961612 0.950576 0.725982 N\n0.240264 0.773018 0.724841 N\n0.006202 0.462805 0.737030 N\n0.272336 0.037538 0.043213 N\n0.539274 0.264410 0.983651 O\n0.739066 0.016502 0.469503 O\n0.041224 0.273545 0.027580 O\n0.724781 0.234786 0.774891 O\n0.772600 0.549509 0.516464 O\n0.037055 0.047964 0.276616 O\n0.465956 0.739333 0.014486 O\n0.261263 0.988014 0.531557 O\n",
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{
"id": "mp-698648",
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"structure_string": "K3 Mo10 O30\n1.0\n9.175460 -1.708051 -2.812989\n-3.422631 8.295045 -3.656891\n1.138748 0.791386 9.455386\nK Mo O\n3 10 30\ndirect\n0.276661 0.747914 0.343577 K\n0.500000 0.500000 0.000000 K\n0.723339 0.252086 0.656423 K\n0.701290 0.781180 0.480402 Mo\n0.602737 0.910495 0.762083 Mo\n0.685240 0.924523 0.178827 Mo\n0.199811 0.577365 0.659384 Mo\n0.963119 0.788514 0.012135 Mo\n0.036881 0.211486 0.987865 Mo\n0.800189 0.422635 0.340616 Mo\n0.314760 0.075477 0.821173 Mo\n0.397263 0.089505 0.237917 Mo\n0.298710 0.218820 0.519598 Mo\n0.354889 0.279446 0.347012 O\n0.591827 0.910131 0.548259 O\n0.173380 0.177793 0.882622 O\n0.790236 0.332918 0.147108 O\n0.619478 0.881793 0.963994 O\n0.951967 0.847862 0.861451 O\n0.822081 0.103236 0.852136 O\n0.104947 0.068817 0.435213 O\n0.174614 0.874801 0.678781 O\n0.364638 0.714931 0.633927 O\n0.500501 0.958752 0.191191 O\n0.386689 0.234477 0.740372 O\n0.762180 0.593850 0.358472 O\n0.889006 0.570987 0.918161 O\n0.110994 0.429013 0.081839 O\n0.237820 0.406150 0.641528 O\n0.613311 0.765523 0.259628 O\n0.499499 0.041248 0.808809 O\n0.635362 0.285069 0.366073 O\n0.825386 0.125199 0.321219 O\n0.000000 0.500000 0.500000 O\n0.895053 0.931183 0.564787 O\n0.177919 0.896764 0.147864 O\n0.048033 0.152138 0.138549 O\n0.380522 0.118207 0.036006 O\n0.209764 0.667082 0.852892 O\n0.826620 0.822207 0.117378 O\n0.408173 0.089869 0.451741 O\n0.500000 0.500000 0.500000 O\n0.645111 0.720554 0.652988 O\n",
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"formula_full": "K3 Mo10 O30",
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{
"id": "mp-1251086",
"created_at": "2022-09-04T14:43:13.767122Z",
"structure_string": "Al10 Fe6 O24\n1.0\n2.889468 5.006139 0.000000\n-2.889468 5.006139 0.000000\n0.000000 0.027322 14.273833\nAl Fe O\n10 6 24\ndirect\n0.668942 0.668942 0.833165 Al\n0.001933 0.498091 0.497424 Al\n0.668552 0.158373 0.833331 Al\n0.838022 0.838022 0.659276 Al\n0.158373 0.668552 0.833331 Al\n0.827377 0.333956 0.167031 Al\n0.159145 0.159145 0.338355 Al\n0.498091 0.001933 0.497424 Al\n0.334890 0.334890 0.167388 Al\n0.333956 0.827377 0.167031 Al\n0.164599 0.164599 0.961662 Fe\n0.498738 0.498738 0.012195 Fe\n0.494445 0.494445 0.622446 Fe\n0.828541 0.828541 0.291993 Fe\n0.168766 0.168766 0.698827 Fe\n0.505220 0.505220 0.380325 Fe\n0.341664 0.341664 0.905451 O\n0.498238 0.498238 0.762391 O\n0.341693 0.811433 0.905133 O\n0.811433 0.341693 0.905133 O\n0.680243 0.680243 0.578010 O\n0.530746 0.980017 0.749811 O\n0.980017 0.530746 0.749811 O\n0.821015 0.821015 0.423133 O\n0.655963 0.136104 0.585274 O\n0.832590 0.832590 0.892535 O\n0.136104 0.655963 0.585274 O\n0.984565 0.984565 0.747740 O\n0.015689 0.015689 0.248955 O\n0.865770 0.340044 0.414555 O\n0.340044 0.865770 0.414555 O\n0.164799 0.164799 0.096509 O\n0.020812 0.458063 0.247292 O\n0.177181 0.177181 0.571028 O\n0.458063 0.020812 0.247292 O\n0.319028 0.319028 0.420895 O\n0.198203 0.648979 0.098746 O\n0.648979 0.198203 0.098746 O\n0.498775 0.498775 0.246177 O\n0.649565 0.649565 0.098409 O\n",
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"formula_full": "Al10 Fe6 O24",
"formula_reduced": "Al5(FeO4)3",
"formula_anonymous": "A3B5C12",
"energy": -314.80673163,
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{
"id": "mp-1207988",
"created_at": "2022-09-04T14:43:13.780827Z",
"structure_string": "Tm4 Al18 Ir6\n1.0\n3.781555 -6.508556 0.000000\n3.781555 6.508556 0.000000\n0.000000 0.000000 9.423880\nTm Al Ir\n4 18 6\ndirect\n0.995435 0.669520 0.250000 Tm\n0.004565 0.330480 0.750000 Tm\n0.669520 0.995435 0.250000 Tm\n0.330480 0.004565 0.750000 Tm\n0.126212 0.126212 0.250000 Al\n0.873788 0.873788 0.750000 Al\n0.000859 0.334719 0.074124 Al\n0.999141 0.665281 0.925876 Al\n0.999141 0.665281 0.574124 Al\n0.334719 0.000859 0.425876 Al\n0.000859 0.334719 0.425876 Al\n0.665281 0.999141 0.574124 Al\n0.665281 0.999141 0.925876 Al\n0.334719 0.000859 0.074124 Al\n0.333193 0.333193 0.554987 Al\n0.666807 0.666807 0.445013 Al\n0.666807 0.666807 0.054987 Al\n0.333193 0.333193 0.945013 Al\n0.337736 0.547457 0.250000 Al\n0.662264 0.452543 0.750000 Al\n0.547457 0.337736 0.250000 Al\n0.452543 0.662264 0.750000 Al\n0.672179 0.327821 0.000000 Ir\n0.327821 0.672179 0.000000 Ir\n0.327821 0.672179 0.500000 Ir\n0.672179 0.327821 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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"formula_full": "Tm4 Al18 Ir6",
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{
"id": "mp-1410375",
"created_at": "2022-09-04T14:43:13.781746Z",
"structure_string": "Mg4 Fe4 O8\n1.0\n1.549849 8.104308 0.000000\n-1.549849 8.104308 0.000000\n0.000000 6.020788 7.847601\nMg Fe O\n4 4 8\ndirect\n0.317674 0.317674 0.236854 Mg\n0.682326 0.682326 0.763146 Mg\n0.047944 0.047944 0.115577 Mg\n0.952056 0.952056 0.884423 Mg\n0.590156 0.590156 0.561503 Fe\n0.180173 0.180173 0.175781 Fe\n0.819827 0.819827 0.824219 Fe\n0.409844 0.409844 0.438497 Fe\n0.834684 0.834684 0.594855 O\n0.438033 0.438033 0.766776 O\n0.561967 0.561967 0.233224 O\n0.165316 0.165316 0.405145 O\n0.097133 0.097133 0.774455 O\n0.797813 0.797813 0.080612 O\n0.902867 0.902867 0.225545 O\n0.202187 0.202187 0.919388 O\n",
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{
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{
"id": "mp-753288",
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"structure_string": "Li3 V1 F8\n1.0\n4.671857 3.518403 0.000000\n-4.671857 3.518403 0.000000\n0.000000 2.863864 4.810859\nLi V F\n3 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.163308 0.163308 0.615766 F\n0.193898 0.806102 0.000000 F\n0.806102 0.193898 0.000000 F\n0.836692 0.836692 0.384234 F\n0.254142 0.254142 0.001034 F\n0.302527 0.697473 0.500000 F\n0.697473 0.302527 0.500000 F\n0.745858 0.745858 0.998966 F\n",
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{
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{
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"created_at": "2022-09-04T14:43:13.809172Z",
"structure_string": "Cr4 In2 Pd4\n1.0\n7.266974 0.000000 0.000000\n0.000000 7.266974 0.000000\n0.000000 0.000000 3.280804\nCr In Pd\n4 2 4\ndirect\n0.659323 0.159323 0.500000 Cr\n0.340677 0.840677 0.500000 Cr\n0.159323 0.340677 0.500000 Cr\n0.840677 0.659323 0.500000 Cr\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.137187 0.637187 0.000000 Pd\n0.862813 0.362813 0.000000 Pd\n0.637187 0.862813 0.000000 Pd\n0.362813 0.137187 0.000000 Pd\n",
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{
"id": "mp-1387028",
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"structure_string": "Mg2 Mo4 O10\n1.0\n3.238087 0.000000 0.000000\n-0.077314 5.163446 0.000000\n-0.117690 -1.000898 12.303617\nMg Mo O\n2 4 10\ndirect\n0.805358 0.886821 0.226127 Mg\n0.265756 0.133384 0.761687 Mg\n0.287098 0.401570 0.099787 Mo\n0.756651 0.611900 0.895133 Mo\n0.785756 0.592928 0.603782 Mo\n0.268383 0.416342 0.388762 Mo\n0.770034 0.375252 0.750506 O\n0.299566 0.623289 0.247901 O\n0.784014 0.656037 0.065202 O\n0.256485 0.362662 0.934147 O\n0.774634 0.660054 0.445986 O\n0.282335 0.349091 0.551278 O\n0.797879 0.191061 0.340334 O\n0.254963 0.823188 0.652309 O\n0.300326 0.840636 0.866885 O\n0.308827 0.083001 0.153630 O\n",
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{
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"formula_full": "Na4 Si8 O32",
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{
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"structure_string": "Cr4 Te3 S1\n1.0\n-2.001407 3.431198 6.338160\n2.001407 -3.431198 6.338160\n2.001407 3.431198 -6.338160\nCr Te S\n4 3 1\ndirect\n0.096196 0.122496 0.973699 Cr\n0.643577 0.616244 0.027333 Cr\n0.411089 0.383756 0.027333 Cr\n0.851203 0.877504 0.973699 Cr\n0.162437 0.500000 0.662437 Te\n0.095046 0.760822 0.334224 Te\n0.573402 0.239178 0.334224 Te\n0.674296 0.000000 0.674296 S\n",
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"density": 5.940565158667014,
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"formula_full": "Cr4 Te3 S1",
"formula_reduced": "Cr4Te3S",
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}