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{
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{
"id": "mp-754942",
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"structure_string": "Sr2 Sm4 O8\n1.0\n0.000000 5.038426 5.038426\n5.038426 0.000000 5.038426\n5.038426 5.038426 0.000000\nSr Sm O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.125000 0.125000 0.625000 Sm\n0.625000 0.125000 0.125000 Sm\n0.125000 0.625000 0.125000 Sm\n0.125000 0.125000 0.125000 Sm\n0.890382 0.890382 0.890382 O\n0.890382 0.328855 0.890382 O\n0.328855 0.890382 0.890382 O\n0.359618 0.359618 0.921145 O\n0.890382 0.890382 0.328855 O\n0.921145 0.359618 0.359618 O\n0.359618 0.921145 0.359618 O\n0.359618 0.359618 0.359618 O\n",
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{
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"structure_string": "K4 Rb8 Fe4 O10\n1.0\n-0.146803 0.000022 -6.976033\n-6.995434 0.000054 0.159138\n-0.000094 12.035099 -0.000036\nK Rb Fe O\n4 8 4 10\ndirect\n0.499999 0.499979 0.722910 K\n0.500005 0.000022 0.222913 K\n0.499993 0.499980 0.277089 K\n0.500003 0.000019 0.777083 K\n0.000007 0.499984 0.741720 Rb\n0.999991 0.000007 0.241720 Rb\n0.000007 0.499993 0.258282 Rb\n0.999990 0.000002 0.758276 Rb\n0.683734 0.335625 0.999998 Rb\n0.683766 0.835645 0.499999 Rb\n0.316246 0.664351 0.999995 Rb\n0.316260 0.164357 0.500001 Rb\n0.804801 0.302009 0.499992 Fe\n0.195168 0.198026 0.999984 Fe\n0.804797 0.802006 0.000003 Fe\n0.195225 0.697984 0.500006 Fe\n0.000014 0.000010 0.999999 O\n0.999998 0.499999 0.499996 O\n0.712287 0.703677 0.136928 O\n0.712310 0.203675 0.636908 O\n0.287688 0.296327 0.863085 O\n0.287673 0.796336 0.363088 O\n0.287688 0.296347 0.136918 O\n0.287718 0.796302 0.636915 O\n0.712318 0.703672 0.863099 O\n0.712314 0.203665 0.363090 O\n",
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"formula_full": "K4 Rb8 Fe4 O10",
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{
"id": "mp-1101536",
"created_at": "2022-09-04T14:42:22.870064Z",
"structure_string": "Li9 Bi3 P6 O24\n1.0\n-7.675379 0.000000 0.000000\n-0.000915 -8.532829 0.000000\n0.003408 4.263962 7.393708\nLi Bi P O\n9 3 6 24\ndirect\n0.362870 0.020186 0.677726 Li\n0.629456 0.984599 0.327760 Li\n0.500482 0.666234 0.335177 Li\n0.634976 0.674530 0.655402 Li\n0.486452 0.006560 0.009769 Li\n0.499245 0.332722 0.667989 Li\n0.368427 0.324775 0.341777 Li\n0.368333 0.655066 0.983875 Li\n0.635446 0.340905 0.019424 Li\n0.950086 0.667625 0.333738 Bi\n0.052276 0.333190 0.665582 Bi\n0.993144 0.968951 0.983496 Bi\n0.744067 0.665492 0.971606 P\n0.253942 0.337980 0.029719 P\n0.257486 0.692079 0.663865 P\n0.745510 0.029528 0.690122 P\n0.253652 0.970633 0.305243 P\n0.748297 0.306867 0.337217 P\n0.594098 0.580952 0.834171 O\n0.077024 0.867618 0.240449 O\n0.724631 0.873881 0.086910 O\n0.261182 0.128979 0.917153 O\n0.919869 0.134743 0.744814 O\n0.589469 0.161690 0.749898 O\n0.255824 0.099360 0.517443 O\n0.266454 0.416421 0.897298 O\n0.275147 0.083676 0.211525 O\n0.593183 0.254149 0.418175 O\n0.732827 0.898715 0.480241 O\n0.736175 0.210474 0.128676 O\n0.922787 0.250527 0.386839 O\n0.263891 0.481376 0.579248 O\n0.921867 0.635937 0.870755 O\n0.080194 0.393775 0.136392 O\n0.739892 0.518395 0.416370 O\n0.410319 0.414197 0.162738 O\n0.271399 0.784613 0.872913 O\n0.080140 0.755901 0.625999 O\n0.409779 0.749585 0.585329 O\n0.740558 0.913574 0.784878 O\n0.743690 0.579791 0.096879 O\n0.405456 0.833950 0.255421 O\n",
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"density_atomic": 0.08673494821290555,
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"formula_full": "Li9 Bi3 P6 O24",
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{
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"created_at": "2022-09-04T14:43:19.892364Z",
"structure_string": "Nd2 H20 S6 N6 O22\n1.0\n8.028994 0.000000 0.000000\n-0.386312 9.255869 0.000000\n-0.863071 -4.354885 8.237761\nNd H S N O\n2 20 6 6 22\ndirect\n0.781348 0.616241 0.778929 Nd\n0.218652 0.383759 0.221071 Nd\n0.807132 0.563675 0.269562 H\n0.192868 0.436325 0.730438 H\n0.846770 0.767308 0.374518 H\n0.153230 0.232692 0.625482 H\n0.308944 0.895902 0.327064 H\n0.691056 0.104098 0.672936 H\n0.120082 0.964741 0.309498 H\n0.879918 0.035259 0.690502 H\n0.624889 0.208013 0.227422 H\n0.375111 0.791987 0.772578 H\n0.619963 0.090100 0.317886 H\n0.380037 0.909900 0.682114 H\n0.726858 0.970868 0.855088 H\n0.273142 0.029132 0.144912 H\n0.705297 0.964219 0.022376 H\n0.294703 0.035781 0.977624 H\n0.505029 0.660886 0.004638 H\n0.494971 0.339114 0.995362 H\n0.676610 0.670342 0.113050 H\n0.323390 0.329658 0.886950 H\n0.599462 0.679730 0.415727 S\n0.400538 0.320270 0.584273 S\n0.145232 0.718722 0.101136 S\n0.854768 0.281278 0.898864 S\n0.867315 0.235759 0.380044 S\n0.132685 0.764241 0.619956 S\n0.755333 0.672577 0.306182 N\n0.244667 0.327423 0.693818 N\n0.216642 0.905043 0.248208 N\n0.783358 0.094957 0.751792 N\n0.692027 0.131292 0.256335 N\n0.307973 0.868708 0.743665 N\n0.511440 0.818603 0.430424 O\n0.488560 0.181397 0.569576 O\n0.497140 0.481148 0.683663 O\n0.502860 0.518852 0.316337 O\n0.671100 0.698984 0.574865 O\n0.328900 0.301016 0.425135 O\n0.981644 0.744229 0.036521 O\n0.018356 0.255771 0.963479 O\n0.270103 0.670748 0.987755 O\n0.729897 0.329252 0.012245 O\n0.874190 0.392514 0.826456 O\n0.125810 0.607486 0.173544 O\n0.939261 0.124611 0.433552 O\n0.060739 0.875389 0.566448 O\n0.823083 0.388315 0.513084 O\n0.176917 0.611685 0.486916 O\n0.032593 0.726882 0.725196 O\n0.967407 0.273118 0.274804 O\n0.702911 0.897470 0.903678 O\n0.297089 0.102530 0.096322 O\n0.628342 0.669943 0.010827 O\n0.371658 0.330057 0.989173 O\n",
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"formula_full": "Nd2 H20 S6 N6 O22",
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"spacegroup": 2
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{
"id": "mp-625937",
"created_at": "2022-09-04T14:42:18.478138Z",
"structure_string": "H28 N4 O24\n1.0\n14.916646 0.000000 0.000000\n0.000000 3.699704 0.000000\n0.000000 0.004730 9.663380\nH N O\n28 4 24\ndirect\n0.284100 0.014147 0.184376 H\n0.718709 0.507706 0.317408 H\n0.218709 0.492294 0.682592 H\n0.784100 0.985853 0.815624 H\n0.352254 0.359620 0.109865 H\n0.318549 0.322521 0.291690 H\n0.640722 0.849502 0.396122 H\n0.679984 0.800531 0.210720 H\n0.140722 0.150498 0.603878 H\n0.179984 0.199469 0.789280 H\n0.852254 0.640380 0.890135 H\n0.818549 0.677479 0.708310 H\n0.115894 0.453579 0.239837 H\n0.907060 0.978027 0.263139 H\n0.018978 0.508241 0.293842 H\n0.990314 0.961544 0.163332 H\n0.518978 0.491759 0.706158 H\n0.490314 0.038456 0.836668 H\n0.615894 0.546421 0.760163 H\n0.407060 0.021973 0.736861 H\n0.168637 0.822620 0.478708 H\n0.095716 0.129002 0.429421 H\n0.818266 0.310826 0.026798 H\n0.894411 0.598039 0.074755 H\n0.394411 0.401961 0.925245 H\n0.318266 0.689174 0.973202 H\n0.595716 0.870998 0.570579 H\n0.668637 0.177380 0.521292 H\n0.161529 0.906410 0.021675 N\n0.838523 0.384057 0.485404 N\n0.338523 0.615943 0.514596 N\n0.661529 0.093590 0.978325 N\n0.188610 0.775703 0.138204 O\n0.815862 0.259085 0.366037 O\n0.315862 0.740915 0.633963 O\n0.688610 0.224297 0.861796 O\n0.222072 0.967593 0.929562 O\n0.773822 0.463691 0.570049 O\n0.273822 0.536309 0.429951 O\n0.722072 0.032407 0.070438 O\n0.081784 0.973703 0.999103 O\n0.917364 0.428729 0.518677 O\n0.417364 0.571271 0.481323 O\n0.581784 0.026297 0.000897 O\n0.335556 0.176706 0.207263 O\n0.664710 0.653817 0.294259 O\n0.164710 0.346183 0.705741 O\n0.835556 0.823294 0.792737 O\n0.069468 0.334599 0.295898 O\n0.941463 0.814358 0.202519 O\n0.441463 0.185642 0.797481 O\n0.569468 0.665401 0.704102 O\n0.117998 0.973741 0.511005 O\n0.870607 0.452759 0.994010 O\n0.370607 0.547241 0.005990 O\n0.617998 0.026259 0.488995 O\n",
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{
"id": "mp-24534",
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"structure_string": "Ca2 H8 Se2 O12\n1.0\n7.779602 3.344439 0.000000\n-7.779602 3.344439 0.000000\n0.000000 2.605465 5.271174\nCa H Se O\n2 8 2 12\ndirect\n0.830634 0.169366 0.250000 Ca\n0.169366 0.830634 0.750000 Ca\n0.765481 0.752700 0.070385 H\n0.247300 0.234519 0.429615 H\n0.234519 0.247300 0.929615 H\n0.752700 0.765481 0.570385 H\n0.835375 0.663401 0.242158 H\n0.336599 0.164625 0.257842 H\n0.164625 0.336599 0.757842 H\n0.663401 0.835375 0.742158 H\n0.668155 0.331845 0.750000 Se\n0.331845 0.668155 0.250000 Se\n0.172046 0.389692 0.443459 O\n0.625409 0.167287 0.592996 O\n0.374591 0.832713 0.407004 O\n0.167287 0.625409 0.092996 O\n0.717926 0.855498 0.565800 O\n0.144502 0.282074 0.934200 O\n0.282074 0.144502 0.434200 O\n0.855498 0.717926 0.065800 O\n0.827954 0.610308 0.556541 O\n0.389692 0.172046 0.943459 O\n0.832713 0.374591 0.907004 O\n0.610308 0.827954 0.056541 O\n",
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{
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