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{
"id": "mp-1203254",
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"structure_string": "Na6 Li2 Mo4 O28\n1.0\n4.156459 7.102237 0.000000\n-4.156459 7.102237 0.000000\n0.000000 4.759758 10.119254\nNa Li Mo O\n6 2 4 28\ndirect\n0.452655 0.488301 0.539798 Na\n0.488301 0.452655 0.039798 Na\n0.675739 0.951035 0.538095 Na\n0.951035 0.675739 0.038095 Na\n0.995329 0.176145 0.538148 Na\n0.176145 0.995329 0.038148 Na\n0.958434 0.457833 0.783540 Li\n0.457833 0.958434 0.283540 Li\n0.304559 0.800339 0.753033 Mo\n0.800339 0.304559 0.253033 Mo\n0.077140 0.579956 0.422620 Mo\n0.579956 0.077140 0.922620 Mo\n0.242802 0.744600 0.930834 O\n0.744600 0.242802 0.430834 O\n0.560121 0.722106 0.691687 O\n0.722106 0.560121 0.191687 O\n0.192672 0.055507 0.687001 O\n0.055507 0.192672 0.187001 O\n0.226428 0.681468 0.692170 O\n0.681468 0.226428 0.192170 O\n0.278513 0.646784 0.370959 O\n0.646784 0.278513 0.870959 O\n0.142905 0.367503 0.370647 O\n0.367503 0.142905 0.870647 O\n0.863159 0.777401 0.371330 O\n0.777401 0.863159 0.871330 O\n0.020284 0.520824 0.595022 O\n0.520824 0.020284 0.095022 O\n0.699968 0.632427 0.883445 O\n0.632427 0.699968 0.383445 O\n0.139321 0.443526 0.880133 O\n0.443526 0.139321 0.380133 O\n0.935037 0.200009 0.886632 O\n0.200009 0.935037 0.386632 O\n0.418807 0.186470 0.644133 O\n0.186470 0.418807 0.144133 O\n0.693486 0.391748 0.647336 O\n0.391748 0.693486 0.147336 O\n0.890148 0.929111 0.647336 O\n0.929111 0.890148 0.147336 O\n",
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{
"id": "mp-1080319",
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"structure_string": "Ce1 Se2\n1.0\n1.444923 2.502957 0.000000\n-1.444923 2.502957 0.000000\n0.000000 1.763229 25.028639\nCe Se\n1 2\ndirect\n0.500032 0.499968 0.500000 Ce\n0.537934 0.583965 0.810697 Se\n0.416035 0.462066 0.189303 Se\n",
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"formula_full": "Ce1 Se2",
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"spacegroup": 5
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{
"id": "mp-1211215",
"created_at": "2022-09-04T14:43:20.382800Z",
"structure_string": "Li8 Nd4 N20 O60\n1.0\n9.043261 0.000000 0.000000\n0.000000 10.622231 0.000000\n0.000000 0.000000 11.841504\nLi Nd N O\n8 4 20 60\ndirect\n0.116883 0.228109 0.321044 Li\n0.883117 0.771891 0.678956 Li\n0.883117 0.771891 0.321044 Li\n0.383117 0.728109 0.178956 Li\n0.116883 0.228109 0.678956 Li\n0.616883 0.271891 0.821044 Li\n0.616883 0.271891 0.178956 Li\n0.383117 0.728109 0.821044 Li\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.260080 N\n0.000000 0.000000 0.739920 N\n0.500000 0.500000 0.239920 N\n0.500000 0.500000 0.760080 N\n0.174756 0.249101 0.000000 N\n0.825244 0.750899 0.000000 N\n0.325244 0.749101 0.500000 N\n0.674756 0.250899 0.500000 N\n0.399974 0.154945 0.291357 N\n0.600026 0.845055 0.708643 N\n0.600026 0.845055 0.291357 N\n0.100026 0.654945 0.208643 N\n0.399974 0.154945 0.708643 N\n0.899974 0.345055 0.791357 N\n0.899974 0.345055 0.208643 N\n0.100026 0.654945 0.791357 N\n0.706365 0.146833 0.000000 N\n0.293635 0.853167 0.000000 N\n0.793635 0.646833 0.500000 N\n0.206365 0.353167 0.500000 N\n0.311956 0.112444 0.368104 O\n0.688044 0.887556 0.631896 O\n0.688044 0.887556 0.368104 O\n0.188044 0.612444 0.131896 O\n0.311956 0.112444 0.631896 O\n0.811956 0.387556 0.868104 O\n0.811956 0.387556 0.131896 O\n0.188044 0.612444 0.868104 O\n0.030499 0.247203 0.000000 O\n0.969501 0.752797 0.000000 O\n0.469501 0.747203 0.500000 O\n0.530499 0.252797 0.500000 O\n0.036487 0.374354 0.201369 O\n0.963513 0.625646 0.798631 O\n0.963513 0.625646 0.201369 O\n0.463513 0.874354 0.298631 O\n0.036487 0.374354 0.798631 O\n0.536487 0.125646 0.701369 O\n0.536487 0.125646 0.298631 O\n0.463513 0.874354 0.701369 O\n0.240572 0.145939 0.000000 O\n0.759428 0.854061 0.000000 O\n0.259428 0.645939 0.500000 O\n0.740572 0.354061 0.500000 O\n0.597019 0.219968 0.000000 O\n0.402981 0.780032 0.000000 O\n0.902981 0.719968 0.500000 O\n0.097019 0.280032 0.500000 O\n0.000000 0.000000 0.363635 O\n0.000000 0.000000 0.636365 O\n0.500000 0.500000 0.136365 O\n0.500000 0.500000 0.863635 O\n0.237540 0.354170 0.000000 O\n0.762460 0.645830 0.000000 O\n0.262460 0.854170 0.500000 O\n0.737540 0.145830 0.500000 O\n0.264267 0.389401 0.407637 O\n0.735733 0.610599 0.592363 O\n0.735733 0.610599 0.407637 O\n0.235733 0.889401 0.092363 O\n0.264267 0.389401 0.592363 O\n0.764267 0.110599 0.907637 O\n0.764267 0.110599 0.092363 O\n0.235733 0.889401 0.907637 O\n0.057695 0.090054 0.201957 O\n0.942305 0.909946 0.798043 O\n0.942305 0.909946 0.201957 O\n0.442305 0.590054 0.298043 O\n0.057695 0.090054 0.798043 O\n0.557695 0.409946 0.701957 O\n0.557695 0.409946 0.298043 O\n0.442305 0.590054 0.701957 O\n0.353526 0.224242 0.215144 O\n0.646474 0.775758 0.784856 O\n0.646474 0.775758 0.215144 O\n0.146474 0.724242 0.284856 O\n0.353526 0.224242 0.784856 O\n0.853526 0.275758 0.715144 O\n0.853526 0.275758 0.284856 O\n0.146474 0.724242 0.715144 O\n",
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"formula_full": "Li8 Nd4 N20 O60",
"formula_reduced": "Li2Nd(NO3)5",
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"spacegroup": 58
},
{
"id": "mp-1214825",
"created_at": "2022-09-04T14:42:57.590878Z",
"structure_string": "Al1 Se2 N1 O8\n1.0\n-2.533680 -4.388463 0.000000\n-2.533680 4.388463 0.000000\n0.000000 0.000000 -8.929815\nAl Se N O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.798649 Se\n0.333333 0.666667 0.201351 Se\n0.000000 0.000000 0.500000 N\n0.927027 0.250332 0.864887 O\n0.323306 0.072973 0.864887 O\n0.676694 0.749668 0.135113 O\n0.749668 0.676694 0.864887 O\n0.250332 0.927027 0.135113 O\n0.072973 0.323306 0.135113 O\n0.666667 0.333333 0.615609 O\n0.333333 0.666667 0.384391 O\n",
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"formula_full": "Al1 Se2 N1 O8",
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"spacegroup": 150
},
{
"id": "mp-769496",
"created_at": "2022-09-04T14:39:38.455336Z",
"structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n-8.806181 5.187013 0.073255\n-9.099726 -5.156980 0.060884\n0.094799 5.181536 6.517340\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.756274 0.994626 0.486205 Na\n0.998942 0.753915 0.998024 Na\n0.531064 0.724962 0.956423 Na\n0.468936 0.275038 0.043577 Na\n0.001058 0.246085 0.001976 Na\n0.243726 0.005374 0.513795 Na\n0.845426 0.806553 0.745106 Ni\n0.656053 0.690482 0.253789 Ni\n0.343947 0.309518 0.746211 Ni\n0.154574 0.193447 0.254894 Ni\n0.476435 0.951318 0.752935 P\n0.981543 0.443785 0.748755 P\n0.018457 0.556215 0.251245 P\n0.523565 0.048682 0.247065 P\n0.941436 0.982758 0.755251 C\n0.553171 0.523762 0.256559 C\n0.446829 0.476238 0.743441 C\n0.058564 0.017242 0.244749 C\n0.009659 0.928362 0.241239 O\n0.704715 0.969207 0.060734 O\n0.979658 0.591028 0.747807 O\n0.855899 0.681611 0.241722 O\n0.640163 0.823853 0.757063 O\n0.519736 0.901193 0.241383 O\n0.482730 0.852805 0.565409 O\n0.800846 0.521948 0.936259 O\n0.999546 0.324817 0.562464 O\n0.203048 0.972489 0.243846 O\n0.694564 0.481700 0.260015 O\n0.466559 0.667552 0.258607 O\n0.971542 0.161510 0.250606 O\n0.492937 0.566471 0.750777 O\n0.507063 0.433529 0.249223 O\n0.028458 0.838490 0.749394 O\n0.533441 0.332448 0.741393 O\n0.305436 0.518300 0.739985 O\n0.796952 0.027511 0.756154 O\n0.000454 0.675183 0.437536 O\n0.199154 0.478052 0.063741 O\n0.517270 0.147195 0.434591 O\n0.480264 0.098807 0.758617 O\n0.359837 0.176147 0.242937 O\n0.144101 0.318389 0.758278 O\n0.020342 0.408972 0.252193 O\n0.295285 0.030793 0.939266 O\n0.990341 0.071638 0.758761 O\n",
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{
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"structure_string": "Ga2 P2 H8 N2 O10\n1.0\n4.537036 0.000000 -0.644639\n0.000000 6.225755 0.000000\n-0.037610 0.000000 8.553126\nGa P H N O\n2 2 8 2 10\ndirect\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.578330 0.250000 0.206651 P\n0.421670 0.750000 0.793349 P\n0.161913 0.118149 0.658749 H\n0.838087 0.618149 0.341251 H\n0.838087 0.881851 0.341251 H\n0.161913 0.381851 0.658749 H\n0.272112 0.250000 0.501717 H\n0.727888 0.750000 0.498283 H\n0.905948 0.250000 0.526735 H\n0.094052 0.750000 0.473265 H\n0.122697 0.250000 0.583570 N\n0.877303 0.750000 0.416430 N\n0.825310 0.250000 0.878879 O\n0.174690 0.750000 0.121121 O\n0.551139 0.250000 0.381814 O\n0.448861 0.750000 0.618186 O\n0.743672 0.456124 0.163987 O\n0.256328 0.956124 0.836013 O\n0.256328 0.543876 0.836013 O\n0.743672 0.043876 0.163987 O\n0.265874 0.250000 0.101283 O\n0.734126 0.750000 0.898717 O\n",
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{
"id": "mp-1026499",
"created_at": "2022-09-04T14:47:56.114242Z",
"structure_string": "Mg14 Cr1 Bi1\n1.0\n6.374056 0.005354 0.000000\n-3.182391 5.512063 0.000000\n0.000000 0.000000 10.390448\nMg Cr Bi\n14 1 1\ndirect\n0.166873 0.333436 0.625000 Mg\n0.166600 0.833300 0.625000 Mg\n0.667865 0.332984 0.125000 Mg\n0.666654 0.333457 0.625000 Mg\n0.667865 0.834880 0.125000 Mg\n0.666654 0.833196 0.625000 Mg\n0.333863 0.172750 0.375560 Mg\n0.333863 0.172750 0.874440 Mg\n0.333863 0.661114 0.375560 Mg\n0.333863 0.661114 0.874440 Mg\n0.837177 0.168589 0.372916 Mg\n0.837177 0.168589 0.877084 Mg\n0.828885 0.664443 0.379454 Mg\n0.828885 0.664443 0.870546 Mg\n0.166075 0.333037 0.125000 Cr\n0.163835 0.831917 0.125000 Bi\n",
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{
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"structure_string": "Sn4 H16 Cl8 O8\n1.0\n7.223469 0.000000 0.000000\n0.000000 8.998451 0.000000\n0.000000 3.793371 8.435616\nSn H Cl O\n4 16 8 8\ndirect\n0.755243 0.965428 0.379910 Sn\n0.255243 0.534572 0.620090 Sn\n0.244757 0.034572 0.620090 Sn\n0.744757 0.465428 0.379910 Sn\n0.530199 0.094362 0.101604 H\n0.030199 0.405638 0.898396 H\n0.469801 0.905638 0.898396 H\n0.969801 0.594362 0.101604 H\n0.700691 0.014786 0.049701 H\n0.200691 0.485214 0.950299 H\n0.299309 0.985214 0.950299 H\n0.799309 0.514786 0.049701 H\n0.751318 0.794774 0.990514 H\n0.251318 0.705226 0.009486 H\n0.248682 0.205226 0.009486 H\n0.748682 0.294774 0.990514 H\n0.791278 0.961973 0.843630 H\n0.291278 0.538027 0.156370 H\n0.208722 0.038027 0.156370 H\n0.708722 0.461973 0.843630 H\n0.991602 0.815617 0.282816 Cl\n0.491602 0.684383 0.717184 Cl\n0.008398 0.184383 0.717184 Cl\n0.508398 0.315617 0.282816 Cl\n0.002050 0.196305 0.307600 Cl\n0.502050 0.303695 0.692400 Cl\n0.997950 0.803695 0.692400 Cl\n0.497950 0.696305 0.307600 Cl\n0.669202 0.086234 0.106453 O\n0.169202 0.413766 0.893547 O\n0.330798 0.913766 0.893547 O\n0.830798 0.586234 0.106453 O\n0.704278 0.907664 0.932346 O\n0.204278 0.592336 0.067654 O\n0.295722 0.092336 0.067654 O\n0.795722 0.407664 0.932346 O\n",
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