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{
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{
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{
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"structure_string": "Y2 Mg2\n1.0\n1.729768 6.220711 0.000000\n-1.729768 6.220711 0.000000\n0.000000 2.377608 5.244817\nY Mg\n2 2\ndirect\n0.879366 0.879366 0.802122 Y\n0.120634 0.120634 0.197878 Y\n0.632439 0.632439 0.696890 Mg\n0.367561 0.367561 0.303110 Mg\n",
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{
"id": "mp-1080329",
"created_at": "2022-09-04T14:40:43.506018Z",
"structure_string": "Ce4 Se8\n1.0\n6.238532 5.748423 0.000000\n-6.238532 5.748423 0.000000\n0.000000 2.314942 11.064517\nCe Se\n4 8\ndirect\n0.988873 0.989718 0.235900 Ce\n0.010282 0.011127 0.764100 Ce\n0.562461 0.817585 0.577611 Ce\n0.182415 0.437539 0.422389 Ce\n0.456243 0.543757 0.500000 Se\n0.949450 0.050550 0.000000 Se\n0.061126 0.684315 0.293349 Se\n0.315685 0.938874 0.706651 Se\n0.709048 0.021202 0.378402 Se\n0.978798 0.290952 0.621598 Se\n0.795687 0.778137 0.719159 Se\n0.221863 0.204313 0.280841 Se\n",
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"elements": [
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"formula_full": "Ce4 Se8",
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{
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"structure_string": "Eu2 Cd22\n1.0\n-6.073212 6.073212 3.910948\n6.073212 -6.073212 3.910948\n6.073212 6.073212 -3.910948\nEu Cd\n2 22\ndirect\n0.500000 0.500000 0.000000 Eu\n0.750000 0.250000 0.500000 Eu\n0.995586 0.320516 0.915058 Cd\n0.125000 0.875000 0.750000 Cd\n0.570516 0.155458 0.824931 Cd\n0.995586 0.080527 0.675069 Cd\n0.570516 0.745586 0.415058 Cd\n0.919473 0.594542 0.915058 Cd\n0.919473 0.004414 0.324931 Cd\n0.844542 0.429484 0.175069 Cd\n0.254414 0.669473 0.824931 Cd\n0.250000 0.750000 0.500000 Cd\n0.679484 0.004414 0.084942 Cd\n0.000000 0.000000 0.000000 Cd\n0.625000 0.875000 0.750000 Cd\n0.679484 0.594542 0.675069 Cd\n0.405458 0.080527 0.084942 Cd\n0.254414 0.429484 0.584942 Cd\n0.330527 0.745586 0.175069 Cd\n0.330527 0.155458 0.584942 Cd\n0.844542 0.669473 0.415058 Cd\n0.405458 0.320516 0.324931 Cd\n0.125000 0.875000 0.250000 Cd\n0.125000 0.375000 0.250000 Cd\n",
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"formula_full": "Eu2 Cd22",
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"spacegroup": 141
},
{
"id": "mp-772173",
"created_at": "2022-09-04T14:40:43.431981Z",
"structure_string": "Cr8 P8 O40\n1.0\n5.042466 0.000000 0.000000\n0.000000 12.682384 0.000000\n0.000000 6.365139 11.109631\nCr P O\n8 8 40\ndirect\n0.732241 0.563115 0.128750 Cr\n0.232241 0.436885 0.371250 Cr\n0.736473 0.063977 0.307182 Cr\n0.236473 0.936023 0.192818 Cr\n0.763527 0.063977 0.807182 Cr\n0.263527 0.936023 0.692818 Cr\n0.767759 0.563115 0.628750 Cr\n0.267759 0.436885 0.871250 Cr\n0.761837 0.844486 0.090367 P\n0.747084 0.343969 0.063384 P\n0.752916 0.343969 0.563384 P\n0.261837 0.155514 0.409633 P\n0.738163 0.844486 0.590367 P\n0.247084 0.656031 0.436616 P\n0.252916 0.656031 0.936616 P\n0.238163 0.155514 0.909633 P\n0.051336 0.862529 0.121082 O\n0.060856 0.624089 0.041818 O\n0.716408 0.708871 0.140721 O\n0.458179 0.373301 0.014169 O\n0.810421 0.414122 0.129737 O\n0.483433 0.502788 0.224889 O\n0.983433 0.497212 0.275111 O\n0.310421 0.585878 0.370263 O\n0.770170 0.207658 0.151268 O\n0.276555 0.089243 0.046689 O\n0.216408 0.291129 0.359279 O\n0.560856 0.375911 0.458182 O\n0.041821 0.373301 0.514169 O\n0.551336 0.137471 0.378918 O\n0.070005 0.109300 0.347722 O\n0.978809 0.985187 0.236249 O\n0.478809 0.014813 0.263751 O\n0.570005 0.890700 0.152278 O\n0.729830 0.207658 0.651268 O\n0.223445 0.089243 0.546689 O\n0.776555 0.910757 0.453311 O\n0.270170 0.792342 0.348732 O\n0.429995 0.109300 0.847722 O\n0.521191 0.985187 0.736249 O\n0.021191 0.014813 0.763751 O\n0.929995 0.890700 0.652278 O\n0.448664 0.862529 0.621082 O\n0.958179 0.626699 0.485831 O\n0.439144 0.624089 0.541818 O\n0.783592 0.708871 0.640721 O\n0.723445 0.910757 0.953311 O\n0.229830 0.792342 0.848732 O\n0.689579 0.414122 0.629737 O\n0.016567 0.502788 0.724889 O\n0.516567 0.497212 0.775111 O\n0.189579 0.585878 0.870263 O\n0.541821 0.626699 0.985831 O\n0.283592 0.291129 0.859279 O\n0.939144 0.375911 0.958182 O\n0.948664 0.137471 0.878918 O\n",
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"elements": [
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],
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"density": 3.047157314268553,
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"volume": 710.466347490614,
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"formula_full": "Cr8 P8 O40",
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"spacegroup": 14
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{
"id": "mp-1096439",
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"structure_string": "Li1 Zn2 Ru1\n1.0\n-5.108648 5.307352 7.549837\n5.108648 -5.307352 7.549837\n5.108648 5.307352 -7.549837\nLi Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256336 0.256336 Zn\n0.000000 0.743664 0.743664 Zn\n0.000000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Dy8 Cl16\n1.0\n-6.362239 0.000000 0.000000\n0.000000 0.000000 -7.156986\n0.000000 -12.468067 0.000000\nDy Cl\n8 16\ndirect\n0.817308 0.950154 0.597990 Dy\n0.182692 0.049846 0.402010 Dy\n0.682692 0.450154 0.402010 Dy\n0.182692 0.549846 0.097990 Dy\n0.317308 0.549846 0.597990 Dy\n0.817308 0.450154 0.902010 Dy\n0.317308 0.049846 0.902010 Dy\n0.682692 0.950154 0.097990 Dy\n0.684072 0.623255 0.708613 Cl\n0.315928 0.376745 0.291387 Cl\n0.815928 0.123255 0.291387 Cl\n0.315928 0.876745 0.208613 Cl\n0.184072 0.876745 0.708613 Cl\n0.684072 0.123255 0.791387 Cl\n0.184072 0.376745 0.791387 Cl\n0.815928 0.623255 0.208613 Cl\n0.980283 0.792550 0.955079 Cl\n0.019717 0.207450 0.044921 Cl\n0.519717 0.292550 0.044921 Cl\n0.019717 0.707450 0.455079 Cl\n0.480283 0.707450 0.955079 Cl\n0.980283 0.292550 0.544921 Cl\n0.480283 0.207450 0.544921 Cl\n0.519717 0.792550 0.455079 Cl\n",
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{
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"structure_string": "Zn4 H36 C16 N12 O24\n1.0\n8.566569 0.000000 0.000000\n0.000000 11.920002 0.000000\n0.000000 0.000000 8.980450\nZn H C N O\n4 36 16 12 24\ndirect\n0.253722 0.750000 0.250000 Zn\n0.246278 0.250000 0.250000 Zn\n0.746278 0.250000 0.750000 Zn\n0.753722 0.750000 0.750000 Zn\n0.250000 0.500000 0.176336 H\n0.250000 0.000000 0.323664 H\n0.750000 0.500000 0.823664 H\n0.750000 0.000000 0.676336 H\n0.590077 0.714153 0.428357 H\n0.909923 0.285847 0.428357 H\n0.590077 0.785847 0.071643 H\n0.909923 0.214153 0.071643 H\n0.409923 0.285847 0.571643 H\n0.090077 0.714153 0.571643 H\n0.409923 0.214153 0.928357 H\n0.090077 0.785847 0.928357 H\n0.331516 0.577221 0.568584 H\n0.168484 0.422779 0.568584 H\n0.331516 0.922779 0.931416 H\n0.168484 0.077221 0.931416 H\n0.668484 0.422779 0.431416 H\n0.831516 0.577221 0.431416 H\n0.668484 0.077221 0.068584 H\n0.831516 0.922779 0.068584 H\n0.414035 0.624149 0.740376 H\n0.085965 0.375851 0.740376 H\n0.414035 0.875851 0.759624 H\n0.085965 0.124149 0.759624 H\n0.585965 0.375851 0.259624 H\n0.914035 0.624149 0.259624 H\n0.585965 0.124149 0.240376 H\n0.914035 0.875851 0.240376 H\n0.313795 0.558767 0.962487 H\n0.186205 0.441233 0.962487 H\n0.313795 0.941233 0.537513 H\n0.186205 0.058767 0.537513 H\n0.686205 0.441233 0.037513 H\n0.813795 0.558767 0.037513 H\n0.686205 0.058767 0.462487 H\n0.813795 0.941233 0.462487 H\n0.250000 0.500000 0.298840 C\n0.250000 0.000000 0.201160 C\n0.750000 0.500000 0.701160 C\n0.750000 0.000000 0.798840 C\n0.518214 0.777716 0.487052 C\n0.981786 0.222284 0.487052 C\n0.518214 0.722284 0.012948 C\n0.981786 0.277716 0.012948 C\n0.481786 0.222284 0.512948 C\n0.018214 0.777716 0.512948 C\n0.481786 0.277716 0.987052 C\n0.018214 0.722284 0.987052 C\n0.250000 0.500000 0.756807 C\n0.250000 0.000000 0.743193 C\n0.750000 0.500000 0.243193 C\n0.750000 0.000000 0.256807 C\n0.339698 0.573035 0.682153 N\n0.160302 0.426965 0.682153 N\n0.339698 0.926965 0.817847 N\n0.160302 0.073035 0.817847 N\n0.660302 0.426965 0.317847 N\n0.839698 0.573035 0.317847 N\n0.660302 0.073035 0.182153 N\n0.839698 0.926965 0.182153 N\n0.250000 0.500000 0.905184 N\n0.250000 0.000000 0.594816 N\n0.750000 0.500000 0.094816 N\n0.750000 0.000000 0.405184 N\n0.258607 0.593832 0.365555 O\n0.241393 0.406168 0.365555 O\n0.258607 0.906168 0.134445 O\n0.241393 0.093832 0.134445 O\n0.741393 0.406168 0.634445 O\n0.758607 0.593832 0.634445 O\n0.741393 0.093832 0.865555 O\n0.758607 0.906168 0.865555 O\n0.397639 0.816051 0.421942 O\n0.102361 0.183949 0.421942 O\n0.397639 0.683949 0.078058 O\n0.102361 0.316051 0.078058 O\n0.602361 0.183949 0.578058 O\n0.897639 0.816051 0.578058 O\n0.602361 0.316051 0.921942 O\n0.897639 0.683949 0.921942 O\n0.560171 0.808374 0.616314 O\n0.939829 0.191626 0.616314 O\n0.560171 0.691626 0.883686 O\n0.939829 0.308374 0.883686 O\n0.439829 0.191626 0.383686 O\n0.060171 0.808374 0.383686 O\n0.439829 0.308374 0.116314 O\n0.060171 0.691626 0.116314 O\n",
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{
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