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{
"id": "mp-3340",
"created_at": "2022-09-04T14:42:02.166224Z",
"structure_string": "Ta1 Al1 Co2\n1.0\n0.000000 2.978094 2.978094\n2.978094 0.000000 2.978094\n2.978094 2.978094 0.000000\nTa Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
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{
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{
"id": "mp-1225057",
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"structure_string": "Fe2 Mo12 Pd6 N4\n1.0\n6.821709 0.000000 0.000000\n0.000000 6.817724 0.000000\n0.000000 0.019594 6.824160\nFe Mo Pd N\n2 12 6 4\ndirect\n0.312302 0.813603 0.939234 Fe\n0.812302 0.186397 0.060766 Fe\n0.375251 0.949032 0.550759 Mo\n0.875251 0.050968 0.449241 Mo\n0.128806 0.463833 0.950137 Mo\n0.628806 0.536167 0.049863 Mo\n0.796714 0.367076 0.717572 Mo\n0.695887 0.876348 0.799059 Mo\n0.195887 0.123652 0.200941 Mo\n0.296714 0.632924 0.282428 Mo\n0.958632 0.806966 0.117722 Mo\n0.049225 0.707094 0.628570 Mo\n0.458632 0.193034 0.882278 Mo\n0.549225 0.292906 0.371430 Mo\n0.188038 0.312513 0.561135 Pd\n0.688038 0.687487 0.438865 Pd\n0.937487 0.433952 0.300816 Pd\n0.561308 0.941438 0.178740 Pd\n0.437487 0.566048 0.699184 Pd\n0.061308 0.058562 0.821260 Pd\n0.623335 0.124619 0.624171 N\n0.123335 0.875381 0.375829 N\n0.873016 0.627038 0.875189 N\n0.373016 0.372962 0.124811 N\n",
"nsites": 24,
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"formula_full": "Fe2 Mo12 Pd6 N4",
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},
{
"id": "mp-1233332",
"created_at": "2022-09-04T14:42:20.064686Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n5.490440 -0.038733 0.068808\n2.778995 -4.713231 0.055580\n2.609578 1.588122 -10.218797\nHf Mg N O\n8 1 8 4\ndirect\n0.155525 0.410954 0.245559 Hf\n0.121168 0.918158 0.777747 Hf\n0.356622 0.350880 0.960416 Hf\n0.648155 0.197106 0.538335 Hf\n0.369335 0.824790 0.463044 Hf\n0.815825 0.089484 0.226553 Hf\n0.631336 0.686417 0.039467 Hf\n0.825300 0.584379 0.754698 Hf\n0.026576 0.487599 0.500274 Mg\n0.443319 0.133097 0.377463 N\n0.550531 0.368584 0.120613 N\n0.245911 0.569194 0.626277 N\n0.775221 0.415130 0.385518 N\n0.436516 0.644619 0.877118 N\n0.943319 0.687029 0.121417 N\n0.975350 0.186106 0.620045 N\n0.744610 0.939322 0.881104 N\n0.230804 0.057971 0.129797 O\n0.071856 0.783677 0.382286 O\n0.046227 0.314412 0.882165 O\n0.607881 0.846236 0.609125 O\n",
"nsites": 21,
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"O"
],
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"volume_molar": 7.570659201913716,
"formula_full": "Hf8 Mg1 N8 O4",
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"formula_anonymous": "AB4C8D8",
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{
"id": "mp-1219223",
"created_at": "2022-09-04T14:47:05.662647Z",
"structure_string": "Sn26 Pd40\n1.0\n4.482884 7.713014 0.000000\n-4.482884 7.713014 0.000000\n0.000000 0.021059 17.216583\nSn Pd\n26 40\ndirect\n0.387894 0.307262 0.255142 Sn\n0.303043 0.388536 0.922059 Sn\n0.317499 0.313141 0.586458 Sn\n0.686859 0.682501 0.413542 Sn\n0.611464 0.696957 0.077941 Sn\n0.692738 0.612106 0.744858 Sn\n0.691951 0.194540 0.745176 Sn\n0.131021 0.681805 0.412570 Sn\n0.195474 0.114350 0.077286 Sn\n0.885650 0.804526 0.922714 Sn\n0.318195 0.868979 0.587430 Sn\n0.805460 0.308049 0.254824 Sn\n0.664807 0.167559 0.081192 Sn\n0.167133 0.665020 0.748180 Sn\n0.168781 0.167048 0.416064 Sn\n0.832952 0.831219 0.583936 Sn\n0.334980 0.832867 0.251820 Sn\n0.832441 0.335193 0.918808 Sn\n0.685712 0.127091 0.418899 Sn\n0.195536 0.694687 0.082226 Sn\n0.108668 0.196077 0.746665 Sn\n0.803923 0.891332 0.253335 Sn\n0.305313 0.804464 0.917774 Sn\n0.872909 0.314288 0.581101 Sn\n0.999127 0.502834 0.167433 Sn\n0.497166 0.000873 0.832567 Sn\n0.499544 0.501817 0.167773 Pd\n0.999539 0.499941 0.832976 Pd\n0.500317 0.999586 0.499956 Pd\n0.000414 0.499683 0.500044 Pd\n0.500059 0.000461 0.167024 Pd\n0.498183 0.500456 0.832227 Pd\n0.659365 0.159557 0.909640 Pd\n0.178856 0.662029 0.575808 Pd\n0.158852 0.182000 0.243209 Pd\n0.818000 0.841148 0.756791 Pd\n0.337971 0.821144 0.424192 Pd\n0.840443 0.340635 0.090360 Pd\n0.318177 0.342951 0.086657 Pd\n0.339790 0.316212 0.751986 Pd\n0.342025 0.339357 0.419639 Pd\n0.660643 0.657975 0.580361 Pd\n0.683788 0.660210 0.248014 Pd\n0.657049 0.681823 0.913343 Pd\n0.497101 0.507708 0.334559 Pd\n0.994985 0.496734 0.002715 Pd\n0.507597 0.997302 0.666665 Pd\n0.002698 0.492403 0.333335 Pd\n0.503266 0.005015 0.997285 Pd\n0.492292 0.502899 0.665441 Pd\n0.995082 0.004918 0.000000 Pd\n0.000349 0.998106 0.664529 Pd\n0.001894 0.999651 0.335471 Pd\n0.663455 0.177308 0.582632 Pd\n0.154601 0.661368 0.249286 Pd\n0.179691 0.158613 0.914596 Pd\n0.841387 0.820309 0.085404 Pd\n0.338632 0.845399 0.750714 Pd\n0.822692 0.336545 0.417368 Pd\n0.508180 0.491820 0.000000 Pd\n0.002316 0.500949 0.664931 Pd\n0.499051 0.997684 0.335069 Pd\n0.001444 0.998556 0.500000 Pd\n0.000014 0.999803 0.167519 Pd\n0.000197 0.999986 0.832481 Pd\n0.502535 0.497465 0.500000 Pd\n",
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"formula_full": "Sn26 Pd40",
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"formula_anonymous": "A13B20",
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"spacegroup": 5
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{
"id": "mp-21278",
"created_at": "2022-09-04T14:39:43.080161Z",
"structure_string": "Ce2 In4 Ir2\n1.0\n2.193428 -5.050645 0.000000\n2.193428 5.050645 0.000000\n0.000000 0.000000 8.224327\nCe In Ir\n2 4 2\ndirect\n0.931595 0.068405 0.750000 Ce\n0.068405 0.931595 0.250000 Ce\n0.643608 0.356392 0.549919 In\n0.356392 0.643608 0.450081 In\n0.643608 0.356392 0.950081 In\n0.356392 0.643608 0.049919 In\n0.783294 0.216706 0.250000 Ir\n0.216706 0.783294 0.750000 Ir\n",
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],
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"volume": 182.22190905702422,
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"formula_full": "Ce2 In4 Ir2",
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{
"id": "mp-1018680",
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"structure_string": "Dy2 Tl2 Zn2\n1.0\n2.357857 -4.083928 0.000000\n2.357857 4.083928 0.000000\n0.000000 0.000000 7.278469\nDy Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
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{
"id": "mp-21660",
"created_at": "2022-09-04T14:39:44.533539Z",
"structure_string": "Hf10 Ga20 Co10\n1.0\n-6.126785 6.126785 4.069205\n6.126785 -6.126785 4.069205\n6.126785 6.126785 -4.069205\nHf Ga Co\n10 20 10\ndirect\n0.519298 0.519298 0.000000 Hf\n0.053112 0.053112 0.000000 Hf\n0.836152 0.836152 0.401074 Hf\n0.435079 0.836152 0.000000 Hf\n0.836152 0.435079 0.000000 Hf\n0.435079 0.435079 0.598926 Hf\n0.843897 0.124200 0.719696 Hf\n0.124200 0.843897 0.719696 Hf\n0.124200 0.404504 0.280304 Hf\n0.404504 0.124200 0.280304 Hf\n0.798757 0.636387 0.837630 Ga\n0.636387 0.798757 0.837630 Ga\n0.032509 0.648566 0.383943 Ga\n0.648566 0.032509 0.383943 Ga\n0.422709 0.422709 0.261797 Ga\n0.648566 0.264623 0.616057 Ga\n0.264623 0.648566 0.616057 Ga\n0.160913 0.160913 0.738203 Ga\n0.422709 0.160913 0.000000 Ga\n0.160913 0.422709 0.000000 Ga\n0.738477 0.246208 0.210846 Ga\n0.527631 0.738477 0.492269 Ga\n0.246208 0.035362 0.507731 Ga\n0.035362 0.527631 0.789154 Ga\n0.246208 0.738477 0.210846 Ga\n0.527631 0.035362 0.789154 Ga\n0.738477 0.527631 0.492269 Ga\n0.035362 0.246208 0.507731 Ga\n0.961127 0.798757 0.162370 Ga\n0.798757 0.961127 0.162370 Ga\n0.819810 0.819810 0.675318 Co\n0.898391 0.398391 0.500000 Co\n0.398391 0.898391 0.500000 Co\n0.144492 0.144492 0.324682 Co\n0.819810 0.144492 0.000000 Co\n0.144492 0.819810 0.000000 Co\n0.272040 0.487907 0.784133 Co\n0.487907 0.272040 0.784133 Co\n0.487907 0.703775 0.215867 Co\n0.703775 0.487907 0.215867 Co\n",
"nsites": 40,
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"formula_full": "Hf10 Ga20 Co10",
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{
"id": "mp-1193527",
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"structure_string": "Zr16 Os8 C4\n1.0\n0.000000 6.262049 6.262049\n6.262049 0.000000 6.262049\n6.262049 6.262049 0.000000\nZr Os C\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812787 0.812787 0.187213 Zr\n0.187213 0.187213 0.812787 Zr\n0.812787 0.187213 0.812787 Zr\n0.187213 0.812787 0.187213 Zr\n0.187213 0.812787 0.812787 Zr\n0.812787 0.187213 0.187213 Zr\n0.437213 0.437213 0.062787 Zr\n0.062787 0.062787 0.437213 Zr\n0.437213 0.062787 0.437213 Zr\n0.062787 0.437213 0.062787 Zr\n0.062787 0.437213 0.437213 Zr\n0.437213 0.062787 0.062787 Zr\n0.753258 0.415581 0.415581 Os\n0.415581 0.753258 0.415581 Os\n0.415581 0.415581 0.753258 Os\n0.415581 0.415581 0.415581 Os\n0.496742 0.834419 0.834419 Os\n0.834419 0.496742 0.834419 Os\n0.834419 0.834419 0.496742 Os\n0.834419 0.834419 0.834419 Os\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.125000 0.125000 0.125000 C\n",
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{
"id": "mp-1212189",
"created_at": "2022-09-04T14:48:23.325824Z",
"structure_string": "Hf4 Mn4 P4\n1.0\n3.594759 0.000000 0.000000\n0.000000 6.391956 0.000000\n0.000000 0.000000 7.461491\nHf Mn P\n4 4 4\ndirect\n0.250000 0.531538 0.174567 Hf\n0.750000 0.468462 0.825433 Hf\n0.750000 0.968462 0.674567 Hf\n0.250000 0.031538 0.325433 Hf\n0.250000 0.636023 0.560344 Mn\n0.750000 0.363977 0.439656 Mn\n0.750000 0.863977 0.060344 Mn\n0.250000 0.136023 0.939656 Mn\n0.250000 0.766739 0.871596 P\n0.750000 0.233261 0.128404 P\n0.750000 0.733261 0.371596 P\n0.250000 0.266739 0.628404 P\n",
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{
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{
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"structure_string": "Nd4 Cd2 Au4\n1.0\n0.000000 0.000000 3.853482\n8.177446 0.000000 0.000000\n0.000000 8.177446 0.000000\nNd Cd Au\n4 2 4\ndirect\n0.500000 0.173691 0.673691 Nd\n0.500000 0.826309 0.326309 Nd\n0.500000 0.326309 0.173691 Nd\n0.500000 0.673691 0.826309 Nd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.626508 0.126508 Au\n0.000000 0.373492 0.873492 Au\n0.000000 0.873492 0.626508 Au\n0.000000 0.126508 0.373492 Au\n",
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}