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{
"id": "mp-1249282",
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"structure_string": "Si12 W12 O48\n1.0\n-5.788453 5.788453 5.788453\n5.788453 -5.788453 5.788453\n5.788453 5.788453 -5.788453\nSi W O\n12 12 48\ndirect\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.875000 0.250000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.875000 0.625000 0.250000 W\n0.625000 0.250000 0.875000 W\n0.875000 0.750000 0.625000 W\n0.750000 0.625000 0.875000 W\n0.250000 0.875000 0.625000 W\n0.625000 0.875000 0.750000 W\n0.125000 0.375000 0.750000 W\n0.375000 0.750000 0.125000 W\n0.125000 0.250000 0.375000 W\n0.250000 0.375000 0.125000 W\n0.750000 0.125000 0.375000 W\n0.375000 0.125000 0.250000 W\n0.468614 0.369647 0.274360 O\n0.305746 0.901033 0.031386 O\n0.598967 0.904713 0.130353 O\n0.595287 0.194254 0.225640 O\n0.130353 0.031386 0.225640 O\n0.194254 0.225640 0.595287 O\n0.194254 0.468614 0.598967 O\n0.225640 0.595287 0.194254 O\n0.369647 0.595287 0.901033 O\n0.904713 0.274360 0.305746 O\n0.274360 0.305746 0.904713 O\n0.225640 0.130353 0.031386 O\n0.468614 0.598967 0.194254 O\n0.901033 0.369647 0.595287 O\n0.031386 0.225640 0.130353 O\n0.598967 0.194254 0.468614 O\n0.595287 0.901033 0.369647 O\n0.031386 0.305746 0.901033 O\n0.904713 0.130353 0.598967 O\n0.630353 0.404713 0.098967 O\n0.369647 0.274360 0.468614 O\n0.274360 0.468614 0.369647 O\n0.901033 0.031386 0.305746 O\n0.305746 0.904713 0.274360 O\n0.531386 0.630353 0.725640 O\n0.694254 0.098967 0.968614 O\n0.401033 0.095287 0.869647 O\n0.404713 0.805746 0.774360 O\n0.869647 0.968614 0.774360 O\n0.805746 0.774360 0.404713 O\n0.805746 0.531386 0.401033 O\n0.774360 0.404713 0.805746 O\n0.694254 0.095287 0.725640 O\n0.098967 0.968614 0.694254 O\n0.725640 0.531386 0.630353 O\n0.630353 0.725640 0.531386 O\n0.869647 0.401033 0.095287 O\n0.095287 0.869647 0.401033 O\n0.968614 0.694254 0.098967 O\n0.404713 0.098967 0.630353 O\n0.401033 0.805746 0.531386 O\n0.968614 0.774360 0.869647 O\n0.098967 0.630353 0.404713 O\n0.531386 0.401033 0.805746 O\n0.774360 0.869647 0.968614 O\n0.725640 0.694254 0.095287 O\n0.095287 0.725640 0.694254 O\n0.130353 0.598967 0.904713 O\n",
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"formula_full": "Si12 W12 O48",
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{
"id": "mp-698580",
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"structure_string": "Co7 Re17 O48\n1.0\n5.768994 0.000000 0.000000\n2.867131 6.737094 0.000000\n2.879701 0.069330 20.511471\nCo Re O\n7 17 48\ndirect\n0.483226 0.001216 0.002698 Co\n0.669757 0.014693 0.159736 Co\n0.665063 0.505351 0.666880 Co\n0.000040 0.007664 0.492572 Co\n0.843583 0.490069 0.339585 Co\n0.992576 0.505096 0.999706 Co\n0.174110 0.489088 0.666621 Co\n0.002448 0.999542 0.000361 Re\n0.332498 0.507643 0.328485 Re\n0.165853 0.996974 0.166570 Re\n0.499934 0.496997 0.999463 Re\n0.809777 0.001029 0.331333 Re\n0.135622 0.502778 0.166208 Re\n0.507929 0.990254 0.503704 Re\n0.141617 0.998234 0.668004 Re\n0.481017 0.499663 0.500294 Re\n0.694630 0.506473 0.166680 Re\n0.355876 0.992499 0.834805 Re\n0.364907 0.997473 0.331652 Re\n0.798702 0.005266 0.839180 Re\n0.860972 0.489451 0.833752 Re\n0.029880 0.497236 0.500741 Re\n0.695542 0.998007 0.666351 Re\n0.295338 0.508586 0.833830 Re\n0.511867 0.796335 0.165916 O\n0.838079 0.289338 0.998918 O\n0.619141 0.699015 0.998421 O\n0.385772 0.500892 0.230005 O\n0.729239 0.997293 0.062450 O\n0.118132 0.003150 0.266541 O\n0.452008 0.498078 0.101351 O\n0.188884 0.000645 0.071296 O\n0.616555 0.212198 0.499248 O\n0.994331 0.714754 0.330173 O\n0.225955 0.285385 0.332566 O\n0.287617 0.214080 0.164598 O\n0.364023 0.304895 0.000916 O\n0.838558 0.219822 0.167296 O\n0.162169 0.710365 0.999080 O\n0.726082 0.492773 0.562172 O\n0.053637 0.006821 0.391851 O\n0.450480 0.997978 0.602654 O\n0.789255 0.493165 0.439492 O\n0.557064 0.986942 0.407467 O\n0.882277 0.502828 0.241136 O\n0.947085 0.511185 0.092818 O\n0.162591 0.805192 0.834555 O\n0.301072 0.722423 0.668000 O\n0.537524 0.275213 0.668805 O\n0.850894 0.786025 0.502556 O\n0.481776 0.706345 0.330688 O\n0.177654 0.208875 0.499507 O\n0.040083 0.787295 0.167121 O\n0.666273 0.290913 0.332620 O\n0.041927 0.498468 0.906932 O\n0.392734 0.993136 0.733661 O\n0.780859 0.001590 0.932946 O\n0.116632 0.497100 0.760131 O\n0.872361 0.999459 0.742073 O\n0.221446 0.495168 0.573189 O\n0.284296 0.511463 0.424879 O\n0.623039 0.002592 0.257768 O\n0.992773 0.192240 0.833272 O\n0.811972 0.720887 0.666770 O\n0.455155 0.222192 0.835566 O\n0.358331 0.791262 0.501565 O\n0.022607 0.274099 0.669591 O\n0.547864 0.495508 0.898889 O\n0.605666 0.503082 0.775456 O\n0.953110 0.004930 0.593914 O\n0.700251 0.775524 0.836404 O\n0.262003 0.999806 0.927566 O\n",
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"volume": 797.2040595099764,
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"formula_full": "Co7 Re17 O48",
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"energy": -629.65120504,
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"updated_at": "2021-11-28T01:37:25.597000Z",
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{
"id": "mp-31222",
"created_at": "2022-09-04T14:46:37.579759Z",
"structure_string": "Th6 Mn23\n1.0\n0.000000 6.078157 6.078157\n6.078157 0.000000 6.078157\n6.078157 6.078157 0.000000\nTh Mn\n6 23\ndirect\n0.291524 0.291524 0.708476 Th\n0.291524 0.708476 0.708476 Th\n0.708476 0.291524 0.291524 Th\n0.291524 0.708476 0.291524 Th\n0.708476 0.291524 0.708476 Th\n0.708476 0.708476 0.291524 Th\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.882381 0.352856 0.882381 Mn\n0.117619 0.117619 0.647144 Mn\n0.647144 0.117619 0.117619 Mn\n0.117619 0.117619 0.117619 Mn\n0.352856 0.882381 0.882381 Mn\n0.882381 0.882381 0.882381 Mn\n0.882381 0.882381 0.352856 Mn\n0.117619 0.647144 0.117619 Mn\n0.680580 0.958260 0.680580 Mn\n0.319420 0.319420 0.041740 Mn\n0.041740 0.319420 0.319420 Mn\n0.319420 0.319420 0.319420 Mn\n0.958260 0.680580 0.680580 Mn\n0.680580 0.680580 0.680580 Mn\n0.680580 0.680580 0.958260 Mn\n0.319420 0.041740 0.319420 Mn\n",
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{
"id": "mp-1188317",
"created_at": "2022-09-04T14:47:40.158130Z",
"structure_string": "Ta10 Ga4 Sn2\n1.0\n-5.199678 5.199678 2.668076\n5.199678 -5.199678 2.668076\n5.199678 5.199678 -2.668076\nTa Ga Sn\n10 4 2\ndirect\n0.734721 0.576862 0.311583 Ta\n0.265279 0.423138 0.688417 Ta\n0.765279 0.076862 0.842141 Ta\n0.234721 0.923138 0.157859 Ta\n0.576862 0.265279 0.842141 Ta\n0.423138 0.734721 0.157859 Ta\n0.076862 0.234721 0.311583 Ta\n0.923138 0.765279 0.688417 Ta\n0.750000 0.250000 0.500000 Ta\n0.250000 0.750000 0.500000 Ta\n0.166460 0.666460 0.832920 Ga\n0.833540 0.333540 0.167080 Ga\n0.333540 0.166460 0.500000 Ga\n0.666460 0.833540 0.500000 Ga\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n",
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{
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{
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{
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