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{
"id": "mp-1245929",
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{
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"structure_string": "Dy6 Mg1 Sb10 O24\n1.0\n-5.457722 5.487960 5.487960\n5.457722 -5.487960 5.487960\n5.457722 5.487960 -5.487960\nDy Mg Sb O\n6 1 10 24\ndirect\n0.736942 0.236942 0.500000 Dy\n0.736942 0.500000 0.236942 Dy\n0.500000 0.250000 0.750000 Dy\n0.500000 0.750000 0.250000 Dy\n0.263058 0.763058 0.500000 Dy\n0.263058 0.500000 0.763058 Dy\n0.000000 0.500000 0.500000 Mg\n0.511818 0.005040 0.005040 Sb\n0.280820 0.000000 0.280820 Sb\n0.280820 0.280820 0.000000 Sb\n0.719180 0.000000 0.719180 Sb\n0.719180 0.719180 0.000000 Sb\n0.000000 0.506779 0.994960 Sb\n0.000000 0.994960 0.506779 Sb\n0.488182 0.493221 0.493221 Sb\n0.000000 0.245008 0.245008 Sb\n0.000000 0.754992 0.754992 Sb\n0.484341 0.009309 0.212206 O\n0.484341 0.212206 0.009309 O\n0.705005 0.500851 0.994270 O\n0.705005 0.994270 0.500851 O\n0.799070 0.301660 0.301660 O\n0.493419 0.499149 0.204155 O\n0.493419 0.204155 0.499149 O\n0.506581 0.710735 0.005730 O\n0.506581 0.005730 0.710735 O\n0.732179 0.545161 0.545161 O\n0.797103 0.272135 0.787794 O\n0.797103 0.787794 0.272135 O\n0.202897 0.475032 0.990691 O\n0.202897 0.990691 0.475032 O\n0.515659 0.727865 0.524968 O\n0.515659 0.524968 0.727865 O\n0.000000 0.454839 0.187016 O\n0.000000 0.187016 0.454839 O\n0.294995 0.795845 0.289265 O\n0.294995 0.289265 0.795845 O\n0.200930 0.502588 0.502588 O\n0.000000 0.698340 0.497412 O\n0.000000 0.497412 0.698340 O\n0.267821 0.812984 0.812984 O\n",
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},
{
"id": "mp-1217548",
"created_at": "2022-09-04T14:44:55.132733Z",
"structure_string": "Tb1 Fe11 Re1\n1.0\n0.000000 0.000000 4.677846\n-4.243467 4.283323 2.338924\n-4.243467 -4.283323 -2.338924\nTb Fe Re\n1 11 1\ndirect\n0.005624 0.994376 0.005624 Tb\n0.728525 0.771475 0.228525 Fe\n0.270976 0.229024 0.770976 Fe\n0.498378 0.777190 0.773946 Fe\n0.498378 0.226054 0.222810 Fe\n0.500415 0.998974 0.499967 Fe\n0.000578 0.998974 0.499967 Fe\n0.500415 0.500033 0.001026 Fe\n0.000578 0.500033 0.001026 Fe\n0.360157 0.639843 0.360157 Fe\n0.999103 0.360115 0.358321 Fe\n0.999103 0.641679 0.639885 Fe\n0.637770 0.362230 0.637770 Re\n",
"nsites": 13,
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"density": 9.36879253062129,
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"volume": 170.05036572560974,
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"formula_full": "Tb1 Fe11 Re1",
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{
"id": "mp-770857",
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"structure_string": "V4 Sb16 O48\n1.0\n5.499537 -0.047071 0.025402\n0.520376 14.981638 -8.269613\n0.708637 3.408380 8.488968\nV Sb O\n4 16 48\ndirect\n0.596718 0.567272 0.710075 V\n0.596572 0.817732 0.459332 V\n0.597029 0.317439 0.960986 V\n0.596011 0.067368 0.211434 V\n0.991816 0.994005 0.976088 Sb\n0.993460 0.243454 0.726575 Sb\n0.993856 0.493389 0.476291 Sb\n0.993041 0.743496 0.225296 Sb\n0.460664 0.500621 0.011075 Sb\n0.460444 0.750498 0.759737 Sb\n0.460350 0.000912 0.512106 Sb\n0.461093 0.250646 0.261852 Sb\n0.990940 0.872748 0.629500 Sb\n0.991350 0.122584 0.380102 Sb\n0.991749 0.372369 0.130174 Sb\n0.991505 0.622394 0.879238 Sb\n0.467310 0.621076 0.354965 Sb\n0.466503 0.871083 0.104105 Sb\n0.466884 0.121225 0.855946 Sb\n0.467690 0.370931 0.605744 Sb\n0.752006 0.422032 0.991409 O\n0.751855 0.671889 0.740044 O\n0.751561 0.922350 0.490571 O\n0.752047 0.172117 0.241632 O\n0.983369 0.469563 0.260687 O\n0.982390 0.719601 0.009657 O\n0.982143 0.969836 0.760232 O\n0.984496 0.219714 0.510786 O\n0.162514 0.593813 0.462908 O\n0.162084 0.843809 0.212128 O\n0.160609 0.094350 0.962953 O\n0.162556 0.343839 0.713466 O\n0.297773 0.395047 0.008325 O\n0.297530 0.644916 0.757181 O\n0.297153 0.895330 0.507884 O\n0.297725 0.145110 0.258345 O\n0.300764 0.686976 0.232375 O\n0.299220 0.937261 0.982590 O\n0.301245 0.186933 0.732959 O\n0.301577 0.436810 0.482994 O\n0.487736 0.523213 0.218659 O\n0.486999 0.773355 0.967336 O\n0.486872 0.023116 0.719841 O\n0.488440 0.273016 0.469497 O\n0.462975 0.727519 0.520345 O\n0.463130 0.977401 0.271639 O\n0.463695 0.227323 0.021823 O\n0.463463 0.477226 0.771466 O\n0.655926 0.562290 0.501461 O\n0.655443 0.812488 0.250642 O\n0.654202 0.062603 0.002511 O\n0.655987 0.312318 0.752296 O\n0.647201 0.837506 0.685027 O\n0.647474 0.087593 0.436898 O\n0.647896 0.337460 0.186624 O\n0.647520 0.587448 0.935574 O\n0.787550 0.654391 0.273102 O\n0.786139 0.904686 0.022667 O\n0.787306 0.154308 0.773685 O\n0.787895 0.404299 0.523820 O\n0.932478 0.785064 0.453806 O\n0.932638 0.034760 0.205178 O\n0.933372 0.284627 0.955359 O\n0.933133 0.534445 0.704810 O\n0.140348 0.801941 0.750039 O\n0.140726 0.052175 0.501501 O\n0.141344 0.302003 0.251544 O\n0.140903 0.552175 0.000992 O\n",
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{
"id": "mp-1179042",
"created_at": "2022-09-04T14:44:55.112828Z",
"structure_string": "Te4 S12 N8\n1.0\n7.768577 0.000000 0.000000\n0.000000 8.879457 0.000000\n0.000000 0.000000 8.976557\nTe S N\n4 12 8\ndirect\n0.737977 0.250000 0.216531 Te\n0.237977 0.250000 0.283469 Te\n0.262023 0.750000 0.783469 Te\n0.762023 0.750000 0.716531 Te\n0.991937 0.250000 0.768735 S\n0.491937 0.250000 0.731265 S\n0.008063 0.750000 0.231265 S\n0.508063 0.750000 0.268735 S\n0.503886 0.044949 0.299508 S\n0.003886 0.455051 0.200492 S\n0.496114 0.544949 0.700492 S\n0.996114 0.955051 0.799508 S\n0.496114 0.955051 0.700492 S\n0.996114 0.544949 0.799508 S\n0.503886 0.455051 0.299508 S\n0.003886 0.044949 0.200492 S\n0.566349 0.103682 0.810218 N\n0.066349 0.396318 0.689782 N\n0.433651 0.603682 0.189782 N\n0.933651 0.896318 0.310218 N\n0.433651 0.896318 0.189782 N\n0.933651 0.603682 0.310218 N\n0.566349 0.396318 0.810218 N\n0.066349 0.103682 0.689782 N\n",
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{
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"structure_string": "V4 S16 N12\n1.0\n9.644219 0.000000 0.000000\n0.000000 9.654561 0.000000\n0.000000 0.000000 11.088248\nV S N\n4 16 12\ndirect\n0.780814 0.482655 0.750000 V\n0.280814 0.017345 0.750000 V\n0.219186 0.517345 0.250000 V\n0.719186 0.982655 0.250000 V\n0.795470 0.262271 0.750000 S\n0.295470 0.237729 0.750000 S\n0.204530 0.737729 0.250000 S\n0.704530 0.762271 0.250000 S\n0.983469 0.566409 0.750000 S\n0.483469 0.933591 0.750000 S\n0.016531 0.433591 0.250000 S\n0.516531 0.066409 0.250000 S\n0.672570 0.546541 0.593717 S\n0.172570 0.953459 0.906283 S\n0.327430 0.453459 0.093717 S\n0.827430 0.046541 0.406283 S\n0.327430 0.453459 0.406283 S\n0.827430 0.046541 0.093717 S\n0.672570 0.546541 0.906283 S\n0.172570 0.953459 0.593717 S\n0.854743 0.915440 0.750000 N\n0.354743 0.584560 0.750000 N\n0.145257 0.084560 0.250000 N\n0.645257 0.415440 0.250000 N\n0.058433 0.299635 0.539057 N\n0.558433 0.200365 0.960943 N\n0.941567 0.700365 0.039057 N\n0.441567 0.799635 0.460943 N\n0.941567 0.700365 0.460943 N\n0.441567 0.799635 0.039057 N\n0.058433 0.299635 0.960943 N\n0.558433 0.200365 0.539057 N\n",
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{
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"structure_string": "Li12 Mn4 C8 S2 O32\n1.0\n0.000000 6.732026 6.732026\n6.732026 0.000000 6.732026\n6.732026 6.732026 0.000000\nLi Mn C S O\n12 4 8 2 32\ndirect\n0.716811 0.716811 0.283189 Li\n0.966811 0.966811 0.533189 Li\n0.283189 0.716811 0.716811 Li\n0.716811 0.283189 0.283189 Li\n0.966811 0.533189 0.966811 Li\n0.533189 0.966811 0.533189 Li\n0.283189 0.716811 0.283189 Li\n0.716811 0.283189 0.716811 Li\n0.533189 0.966811 0.966811 Li\n0.533189 0.533189 0.966811 Li\n0.966811 0.533189 0.533189 Li\n0.283189 0.283189 0.716811 Li\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.351306 0.946082 0.351306 C\n0.898694 0.898694 0.898694 C\n0.303918 0.898694 0.898694 C\n0.351306 0.351306 0.946082 C\n0.898694 0.898694 0.303918 C\n0.946082 0.351306 0.351306 C\n0.351306 0.351306 0.351306 C\n0.898694 0.303918 0.898694 C\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.685827 0.685827 0.685827 O\n0.942518 0.685827 0.685827 O\n0.685827 0.685827 0.942518 O\n0.685827 0.942518 0.685827 O\n0.905197 0.031913 0.304030 O\n0.758860 0.304030 0.031913 O\n0.905197 0.758860 0.031913 O\n0.218087 0.945970 0.344803 O\n0.031913 0.905197 0.758860 O\n0.304030 0.758860 0.905197 O\n0.758860 0.031913 0.905197 O\n0.344803 0.945970 0.491140 O\n0.945970 0.344803 0.218087 O\n0.031913 0.758860 0.304030 O\n0.945970 0.218087 0.491140 O\n0.758860 0.905197 0.304030 O\n0.304030 0.031913 0.758860 O\n0.491140 0.344803 0.945970 O\n0.218087 0.491140 0.945970 O\n0.304030 0.905197 0.031913 O\n0.905197 0.304030 0.758860 O\n0.491140 0.218087 0.344803 O\n0.945970 0.491140 0.344803 O\n0.218087 0.344803 0.491140 O\n0.344803 0.491140 0.218087 O\n0.031913 0.304030 0.905197 O\n0.491140 0.945970 0.218087 O\n0.344803 0.218087 0.945970 O\n0.564173 0.307482 0.564173 O\n0.564173 0.564173 0.307482 O\n0.307482 0.564173 0.564173 O\n0.564173 0.564173 0.564173 O\n",
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{
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"structure_string": "Te4 F24\n1.0\n5.281106 0.000000 0.000000\n0.000000 9.064058 0.000000\n0.000000 0.000000 10.110220\nTe F\n4 24\ndirect\n0.597158 0.750000 0.627695 Te\n0.097158 0.250000 0.872305 Te\n0.402842 0.250000 0.372305 Te\n0.902842 0.750000 0.127695 Te\n0.554785 0.395345 0.268749 F\n0.054785 0.604655 0.231251 F\n0.445215 0.895345 0.731251 F\n0.945215 0.104655 0.768749 F\n0.182499 0.750000 0.015046 F\n0.682499 0.250000 0.484954 F\n0.817501 0.250000 0.984954 F\n0.317501 0.750000 0.515046 F\n0.622576 0.750000 0.240082 F\n0.122576 0.250000 0.259918 F\n0.377424 0.250000 0.759918 F\n0.877424 0.750000 0.740082 F\n0.750008 0.895481 0.024505 F\n0.250008 0.104519 0.475495 F\n0.249992 0.395481 0.975495 F\n0.749992 0.604519 0.524505 F\n0.249992 0.104519 0.975495 F\n0.749992 0.895481 0.524505 F\n0.750008 0.604519 0.024505 F\n0.250008 0.395481 0.475495 F\n0.054785 0.895345 0.231251 F\n0.554785 0.104655 0.268749 F\n0.945215 0.395345 0.768749 F\n0.445215 0.604655 0.731251 F\n",
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