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{
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{
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{
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"formula_full": "V8 Fe2 Cu2 O24",
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{
"id": "mp-780733",
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"structure_string": "Li2 Mn4 P4 H2 O18\n1.0\n6.839767 0.000000 0.000000\n0.000000 6.163284 0.000000\n0.000000 2.654214 8.528000\nLi Mn P H O\n2 4 4 2 18\ndirect\n0.250000 0.010932 0.145825 Li\n0.750000 0.989068 0.854175 Li\n0.250000 0.472056 0.706540 Mn\n0.750000 0.527944 0.293460 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.250000 0.905189 0.804192 P\n0.750000 0.558366 0.662764 P\n0.250000 0.441634 0.337236 P\n0.750000 0.094811 0.195808 P\n0.750000 0.928016 0.512897 H\n0.250000 0.071984 0.487103 H\n0.437723 0.836344 0.906596 O\n0.062277 0.836344 0.906596 O\n0.750000 0.831044 0.622647 O\n0.250000 0.797756 0.666934 O\n0.750000 0.840776 0.277730 O\n0.250000 0.413418 0.940012 O\n0.931282 0.472059 0.764864 O\n0.568718 0.472059 0.764864 O\n0.250000 0.528382 0.480119 O\n0.750000 0.471618 0.519881 O\n0.431282 0.527941 0.235136 O\n0.068718 0.527941 0.235136 O\n0.750000 0.586582 0.059988 O\n0.250000 0.159224 0.722270 O\n0.750000 0.202244 0.333066 O\n0.250000 0.168956 0.377353 O\n0.937723 0.163656 0.093404 O\n0.562277 0.163656 0.093404 O\n",
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"formula_full": "Li2 Mn4 P4 H2 O18",
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{
"id": "mp-1203550",
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"structure_string": "Tm22 Ge20\n1.0\n-5.404078 5.404078 8.089818\n5.404078 -5.404078 8.089818\n5.404078 5.404078 -8.089818\nTm Ge\n22 20\ndirect\n0.810005 0.062526 0.252521 Tm\n0.810005 0.557484 0.747479 Tm\n0.062526 0.810005 0.252521 Tm\n0.557484 0.810005 0.747479 Tm\n0.189995 0.937474 0.747479 Tm\n0.189995 0.442516 0.252521 Tm\n0.937474 0.189995 0.747479 Tm\n0.442516 0.189995 0.252521 Tm\n0.176795 0.176795 0.353590 Tm\n0.823205 0.823205 0.646410 Tm\n0.176795 0.823205 0.000000 Tm\n0.823205 0.176795 0.000000 Tm\n0.660357 0.660357 0.000000 Tm\n0.339643 0.339643 0.000000 Tm\n0.602767 0.926626 0.323859 Tm\n0.602767 0.278909 0.676141 Tm\n0.926626 0.602767 0.323859 Tm\n0.278909 0.602767 0.676141 Tm\n0.397233 0.073374 0.676141 Tm\n0.397233 0.721091 0.323859 Tm\n0.073374 0.397233 0.676141 Tm\n0.721091 0.397233 0.323859 Tm\n0.360991 0.000000 0.360991 Ge\n0.639009 0.000000 0.639009 Ge\n0.000000 0.639009 0.639009 Ge\n0.000000 0.360991 0.360991 Ge\n0.885172 0.885172 0.000000 Ge\n0.114828 0.114828 0.000000 Ge\n0.379020 0.379020 0.758041 Ge\n0.620980 0.620980 0.241959 Ge\n0.379020 0.620980 0.000000 Ge\n0.620980 0.379020 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.890530 0.890530 0.419700 Ge\n0.470830 0.470830 0.580300 Ge\n0.890530 0.470830 0.000000 Ge\n0.470830 0.890530 0.000000 Ge\n0.109470 0.109470 0.580300 Ge\n0.529170 0.529170 0.419700 Ge\n0.109470 0.529170 0.000000 Ge\n0.529170 0.109470 0.000000 Ge\n",
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{
"id": "mp-29188",
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"structure_string": "V2 Hg2 O6\n1.0\n3.650004 0.000000 0.000000\n-0.248815 5.066093 0.000000\n-1.764082 -0.508588 8.600587\nV Hg O\n2 2 6\ndirect\n0.674735 0.388526 0.863180 V\n0.325265 0.611474 0.136820 V\n0.147285 0.178394 0.424556 Hg\n0.852715 0.821606 0.575444 Hg\n0.596533 0.499200 0.673671 O\n0.403467 0.500800 0.326329 O\n0.641920 0.065095 0.839184 O\n0.358080 0.934905 0.160816 O\n0.204898 0.479305 0.911200 O\n0.795102 0.520695 0.088800 O\n",
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{
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"structure_string": "K2 In2 B2 P4 H2 O18\n1.0\n5.351943 0.000000 0.000000\n0.394134 8.352320 0.000000\n1.535192 0.192673 8.394465\nK In B P H O\n2 2 2 4 2 18\ndirect\n0.280811 0.172912 0.883009 K\n0.719189 0.827088 0.116991 K\n0.275126 0.692673 0.800686 In\n0.724874 0.307327 0.199314 In\n0.103533 0.766989 0.442733 B\n0.896467 0.233011 0.557267 B\n0.217531 0.567392 0.188579 P\n0.782469 0.432608 0.811421 P\n0.805592 0.923228 0.696588 P\n0.194408 0.076772 0.303412 P\n0.383795 0.606708 0.482627 H\n0.616205 0.393292 0.517373 H\n0.259097 0.696050 0.053195 O\n0.740903 0.303950 0.946805 O\n0.274116 0.687332 0.543962 O\n0.725884 0.312668 0.456038 O\n0.028202 0.910448 0.788925 O\n0.971798 0.089552 0.211075 O\n0.557506 0.870155 0.798339 O\n0.442494 0.129845 0.201661 O\n0.913960 0.578280 0.855676 O\n0.086040 0.421720 0.144324 O\n0.865197 0.824674 0.540199 O\n0.134803 0.175326 0.459801 O\n0.035572 0.649740 0.333755 O\n0.964428 0.350260 0.666245 O\n0.750821 0.102792 0.649930 O\n0.249179 0.897208 0.350070 O\n0.475606 0.521460 0.241931 O\n0.524394 0.478540 0.758069 O\n",
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{
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"structure_string": "Fe2 H54 N18 Cl4 O1\n1.0\n8.454428 -0.101052 -2.374199\n-1.805499 9.066967 -3.701744\n0.094210 0.107625 11.134245\nFe H N Cl O\n2 54 18 4 1\ndirect\n0.374463 0.376796 0.541558 Fe\n0.625537 0.623204 0.458442 Fe\n0.160863 0.373487 0.316645 H\n0.839137 0.626513 0.683355 H\n0.045728 0.350217 0.408005 H\n0.954272 0.649783 0.591995 H\n0.151535 0.515789 0.447770 H\n0.848465 0.484211 0.552230 H\n0.347021 0.210935 0.284240 H\n0.652979 0.789065 0.715760 H\n0.482808 0.154962 0.377442 H\n0.517192 0.845038 0.622558 H\n0.285146 0.086273 0.336016 H\n0.714854 0.913727 0.663984 H\n0.321985 0.640159 0.682375 H\n0.678015 0.359841 0.317625 H\n0.478196 0.609687 0.781140 H\n0.521804 0.390313 0.218860 H\n0.291776 0.546767 0.774450 H\n0.708224 0.453233 0.225550 H\n0.651068 0.282484 0.617132 H\n0.348932 0.717516 0.382868 H\n0.557287 0.273491 0.728451 H\n0.442713 0.726509 0.271549 H\n0.650426 0.434245 0.742886 H\n0.349574 0.565755 0.257114 H\n0.236829 0.280049 0.697813 H\n0.763171 0.719951 0.302187 H\n0.098950 0.217771 0.547195 H\n0.901050 0.782229 0.452805 H\n0.247742 0.131060 0.575091 H\n0.752258 0.868940 0.424909 H\n0.576856 0.145764 0.908302 H\n0.423144 0.854236 0.091698 H\n0.414558 0.213557 0.916629 H\n0.585442 0.786443 0.083371 H\n0.403702 0.061004 0.789423 H\n0.596298 0.938996 0.210577 H\n0.922643 0.150300 0.064043 H\n0.077357 0.849700 0.935957 H\n0.792087 0.995057 0.005751 H\n0.207913 0.004943 0.994249 H\n0.797938 0.131248 0.146203 H\n0.202062 0.868752 0.853797 H\n0.092998 0.858680 0.328085 H\n0.907002 0.141320 0.671915 H\n0.041314 0.864899 0.177157 H\n0.958686 0.135101 0.822843 H\n0.981061 0.974081 0.297806 H\n0.018939 0.025919 0.702194 H\n0.209812 0.619937 0.962145 H\n0.790188 0.380063 0.037855 H\n0.170902 0.448569 0.944408 H\n0.829098 0.551431 0.055592 H\n0.036316 0.516652 0.862824 H\n0.963684 0.483348 0.137176 H\n0.153935 0.405515 0.413940 N\n0.846065 0.594485 0.586060 N\n0.370742 0.180782 0.365555 N\n0.629258 0.819218 0.634445 N\n0.361915 0.562622 0.716963 N\n0.638085 0.437378 0.283037 N\n0.580877 0.332960 0.673605 N\n0.419123 0.667040 0.326395 N\n0.220915 0.233575 0.595761 N\n0.779085 0.766425 0.404239 N\n0.474518 0.163685 0.849958 N\n0.525482 0.836315 0.150042 N\n0.805184 0.107434 0.050311 N\n0.194816 0.892566 0.949689 N\n0.077527 0.928714 0.279160 N\n0.922473 0.071286 0.720840 N\n0.156823 0.515099 0.891545 N\n0.843177 0.484901 0.108455 N\n0.811701 0.206458 0.437538 Cl\n0.188299 0.793542 0.562462 Cl\n0.772938 0.691849 0.890687 Cl\n0.227062 0.308151 0.109313 Cl\n0.500000 0.500000 0.500000 O\n",
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{
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