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{
"id": "mp-18994",
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"structure_string": "Cs4 Mn4 O16\n1.0\n6.003016 0.000000 0.000000\n0.000000 8.162780 0.000000\n0.000000 0.000000 10.228163\nCs Mn O\n4 4 16\ndirect\n0.250000 0.846179 0.810675 Cs\n0.750000 0.153821 0.189325 Cs\n0.750000 0.346179 0.689325 Cs\n0.250000 0.653821 0.310675 Cs\n0.250000 0.294579 0.949140 Mn\n0.750000 0.705421 0.050860 Mn\n0.750000 0.794579 0.550860 Mn\n0.250000 0.205421 0.449140 Mn\n0.529927 0.815495 0.078926 O\n0.029927 0.184505 0.921074 O\n0.470073 0.315495 0.421074 O\n0.970073 0.684505 0.578926 O\n0.470073 0.184505 0.921074 O\n0.970073 0.815495 0.078926 O\n0.529927 0.684505 0.578926 O\n0.029927 0.315495 0.421074 O\n0.250000 0.048332 0.352913 O\n0.750000 0.951668 0.647087 O\n0.750000 0.548332 0.147087 O\n0.250000 0.451668 0.852913 O\n0.250000 0.147743 0.600345 O\n0.750000 0.852257 0.399655 O\n0.750000 0.647743 0.899655 O\n0.250000 0.352257 0.100345 O\n",
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{
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"structure_string": "K4 Mn4 O8\n1.0\n5.813679 0.000229 -0.000006\n-2.907089 -6.682739 0.001130\n0.000002 -0.000036 -6.539878\nK Mn O\n4 4 8\ndirect\n0.499995 0.499985 0.000113 K\n0.999995 0.499985 0.000113 K\n0.999985 0.999975 0.499881 K\n0.499985 0.999975 0.499881 K\n0.499995 0.499985 0.500141 Mn\n0.499995 0.000002 0.999869 Mn\n0.999997 0.499987 0.500142 Mn\n0.999993 0.999998 0.999869 Mn\n0.193869 0.387746 0.341963 O\n0.693878 0.387746 0.341963 O\n0.693880 0.887753 0.158004 O\n0.193871 0.887752 0.158005 O\n0.806157 0.612304 0.658261 O\n0.306148 0.612303 0.658261 O\n0.306146 0.112299 0.841766 O\n0.806154 0.112300 0.841766 O\n",
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"formula_full": "K4 Mn4 O8",
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{
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"structure_string": "Rb8 P4 Pb2 Se16\n1.0\n-4.764709 5.308439 9.696347\n4.764709 -5.308439 9.696347\n4.764709 5.308439 -9.696347\nRb P Pb Se\n8 4 2 16\ndirect\n0.413558 0.298079 0.884521 Rb\n0.586442 0.701921 0.115479 Rb\n0.913558 0.529037 0.615479 Rb\n0.086442 0.470963 0.384521 Rb\n0.485758 0.235758 0.250000 Rb\n0.014242 0.764242 0.250000 Rb\n0.514242 0.764242 0.750000 Rb\n0.985758 0.235758 0.750000 Rb\n0.874310 0.075983 0.201674 P\n0.125690 0.924017 0.798326 P\n0.374310 0.672636 0.298326 P\n0.625690 0.327364 0.701674 P\n0.250000 0.000000 0.250000 Pb\n0.750000 0.000000 0.750000 Pb\n0.237149 0.982313 0.745164 Se\n0.762851 0.017687 0.254836 Se\n0.737149 0.491986 0.754836 Se\n0.262851 0.508014 0.245164 Se\n0.245671 0.784447 0.880952 Se\n0.096505 0.215553 0.461224 Se\n0.403495 0.364719 0.619048 Se\n0.254329 0.635281 0.038776 Se\n0.754329 0.215553 0.119048 Se\n0.903495 0.784447 0.538776 Se\n0.596505 0.635281 0.380952 Se\n0.745671 0.364719 0.961224 Se\n0.395473 0.924890 0.529417 Se\n0.604527 0.075110 0.470583 Se\n0.895473 0.866056 0.970583 Se\n0.104527 0.133944 0.029417 Se\n",
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"formula_full": "Rb8 P4 Pb2 Se16",
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{
"id": "mp-1521898",
"created_at": "2022-09-04T14:39:31.580646Z",
"structure_string": "Ba1 Ca1 Ce1 Ti1 O6\n1.0\n0.000000 -4.197193 -4.197193\n4.197193 0.000000 -4.197193\n4.197193 -4.197193 0.000000\nBa Ca Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735531 0.264469 0.264469 O\n0.264469 0.735531 0.735531 O\n0.735531 0.264469 0.735531 O\n0.264469 0.735531 0.264469 O\n0.735531 0.735531 0.264469 O\n0.264469 0.264469 0.735531 O\n",
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"formula_full": "Ba1 Ca1 Ce1 Ti1 O6",
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"formula_anonymous": "ABCDE6",
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{
"id": "mp-1177660",
"created_at": "2022-09-04T14:39:33.721228Z",
"structure_string": "Li12 Gd4 O12\n1.0\n2.943963 -5.099093 0.000000\n2.943963 5.099093 0.000000\n0.000000 0.000000 10.791569\nLi Gd O\n12 4 12\ndirect\n0.943154 0.632169 0.437694 Li\n0.056846 0.689015 0.937694 Li\n0.632169 0.943154 0.937694 Li\n0.943154 0.310985 0.062306 Li\n0.689015 0.056846 0.437694 Li\n0.056846 0.367831 0.562306 Li\n0.632169 0.689015 0.562306 Li\n0.367831 0.310985 0.437694 Li\n0.310985 0.367831 0.937694 Li\n0.689015 0.632169 0.062306 Li\n0.367831 0.056846 0.062306 Li\n0.310985 0.943154 0.562306 Li\n0.666667 0.333333 0.750000 Gd\n0.333333 0.666667 0.250000 Gd\n0.000000 0.000000 0.250000 Gd\n0.000000 0.000000 0.750000 Gd\n0.960034 0.664774 0.619619 O\n0.039966 0.704741 0.119619 O\n0.960034 0.295259 0.880381 O\n0.039966 0.335226 0.380381 O\n0.704741 0.039966 0.619619 O\n0.664774 0.960034 0.119619 O\n0.295259 0.335226 0.119619 O\n0.664774 0.704741 0.380381 O\n0.335226 0.295259 0.619619 O\n0.704741 0.664774 0.880381 O\n0.335226 0.039966 0.880381 O\n0.295259 0.960034 0.380381 O\n",
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{
"id": "mp-8511",
"created_at": "2022-09-04T14:40:07.079839Z",
"structure_string": "P2 F10\n1.0\n2.877644 -4.984226 0.000000\n2.877644 4.984226 0.000000\n0.000000 0.000000 6.378208\nP F\n2 10\ndirect\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n0.823158 0.646316 0.750000 F\n0.176842 0.823158 0.250000 F\n0.333333 0.666667 0.502649 F\n0.666667 0.333333 0.002649 F\n0.666667 0.333333 0.497351 F\n0.333333 0.666667 0.997351 F\n0.176842 0.353684 0.250000 F\n0.823158 0.176842 0.750000 F\n0.353684 0.176842 0.750000 F\n0.646316 0.823158 0.250000 F\n",
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{
"id": "mp-1518152",
"created_at": "2022-09-04T14:39:33.781100Z",
"structure_string": "K1 Ca1 Ce1 Bi1 O6\n1.0\n-0.000000 -4.318686 -4.318686\n4.318686 -0.000000 -4.318686\n4.318686 -4.318686 -0.000000\nK Ca Ce Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ce\n-0.000000 0.000000 0.000000 Bi\n0.754833 0.245167 0.245167 O\n0.245167 0.754833 0.754833 O\n0.754833 0.245167 0.754833 O\n0.245167 0.754833 0.245167 O\n0.754833 0.754833 0.245167 O\n0.245167 0.245167 0.754833 O\n",
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{
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"structure_string": "Co8 S12 O48\n1.0\n8.450404 0.000000 0.000000\n0.000000 8.537112 0.000000\n0.000000 0.000000 11.833076\nCo S O\n8 12 48\ndirect\n0.968917 0.250369 0.121864 Co\n0.468917 0.749631 0.121864 Co\n0.968917 0.750369 0.378136 Co\n0.468917 0.249631 0.378136 Co\n0.031083 0.249631 0.621864 Co\n0.531083 0.750369 0.621864 Co\n0.531083 0.250369 0.878136 Co\n0.031083 0.749631 0.878136 Co\n0.250000 0.461152 0.000000 S\n0.750000 0.538848 0.000000 S\n0.605756 0.102740 0.145476 S\n0.105756 0.897260 0.145476 S\n0.105756 0.397260 0.354524 S\n0.605756 0.602740 0.354524 S\n0.750000 0.038848 0.500000 S\n0.250000 0.961152 0.500000 S\n0.394244 0.397260 0.645476 S\n0.894244 0.602740 0.645476 S\n0.894244 0.102740 0.854524 S\n0.394244 0.897260 0.854524 S\n0.569407 0.140861 0.027381 O\n0.069407 0.859139 0.027381 O\n0.365231 0.558801 0.062566 O\n0.865231 0.441199 0.062566 O\n0.169665 0.361501 0.084069 O\n0.669665 0.638499 0.084069 O\n0.104243 0.071612 0.160742 O\n0.604243 0.928388 0.160742 O\n0.763398 0.159378 0.180102 O\n0.263398 0.840622 0.180102 O\n0.981282 0.829005 0.219470 O\n0.481282 0.170995 0.219470 O\n0.981282 0.329005 0.280530 O\n0.481282 0.670995 0.280530 O\n0.763398 0.659378 0.319898 O\n0.263398 0.340622 0.319898 O\n0.604243 0.428388 0.339258 O\n0.104243 0.571612 0.339258 O\n0.669665 0.138499 0.415931 O\n0.169665 0.861501 0.415931 O\n0.365231 0.058801 0.437434 O\n0.865231 0.941199 0.437434 O\n0.569407 0.640861 0.472619 O\n0.069407 0.359139 0.472619 O\n0.430593 0.359139 0.527381 O\n0.930593 0.640861 0.527381 O\n0.134769 0.058801 0.562566 O\n0.634769 0.941199 0.562566 O\n0.830335 0.138499 0.584069 O\n0.330335 0.861501 0.584069 O\n0.895757 0.428388 0.660742 O\n0.395757 0.571612 0.660742 O\n0.236602 0.340622 0.680102 O\n0.736602 0.659378 0.680102 O\n0.518718 0.329005 0.719470 O\n0.018718 0.670995 0.719470 O\n0.018718 0.170995 0.780530 O\n0.518718 0.829005 0.780530 O\n0.736602 0.159378 0.819898 O\n0.236602 0.840622 0.819898 O\n0.395757 0.071612 0.839258 O\n0.895757 0.928388 0.839258 O\n0.330335 0.361501 0.915931 O\n0.830335 0.638499 0.915931 O\n0.634769 0.441199 0.937434 O\n0.134769 0.558801 0.937434 O\n0.930593 0.140861 0.972619 O\n0.430593 0.859139 0.972619 O\n",
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{
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"structure_string": "Na2 P2 H8 S2 O16\n1.0\n6.845333 0.000000 0.000000\n0.000000 5.472811 0.000000\n0.000000 0.833503 8.781412\nNa P H S O\n2 2 8 2 16\ndirect\n0.860416 0.986967 0.445727 Na\n0.360416 0.013033 0.554273 Na\n0.119549 0.881534 0.878323 P\n0.619549 0.118466 0.121677 P\n0.503873 0.913023 0.931478 H\n0.419834 0.845965 0.249161 H\n0.914023 0.571779 0.861188 H\n0.389873 0.548309 0.778090 H\n0.889873 0.451691 0.221910 H\n0.414023 0.428221 0.138812 H\n0.919834 0.154035 0.750839 H\n0.003873 0.086977 0.068522 H\n0.136040 0.541378 0.361354 S\n0.636040 0.458622 0.638646 S\n0.628061 0.948179 0.989788 O\n0.512072 0.986101 0.265689 O\n0.327316 0.824449 0.831859 O\n0.634034 0.715359 0.577673 O\n0.003600 0.645029 0.935615 O\n0.139292 0.720288 0.474473 O\n0.934386 0.596786 0.277216 O\n0.294509 0.595372 0.247249 O\n0.794509 0.404628 0.752751 O\n0.434386 0.403214 0.722784 O\n0.639292 0.279712 0.525527 O\n0.503600 0.354971 0.064385 O\n0.134034 0.284641 0.422327 O\n0.827316 0.175551 0.168141 O\n0.012072 0.013899 0.734311 O\n0.128061 0.051821 0.010212 O\n",
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{
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{
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"structure_string": "Y4 Mg1 Bi4 O12\n1.0\n5.815493 -0.293685 0.093042\n-0.310270 5.763883 -0.053446\n0.119822 -0.039173 10.797473\nY Mg Bi O\n4 1 4 12\ndirect\n0.034004 0.961615 0.739266 Y\n0.564861 0.531219 0.266236 Y\n0.455648 0.446670 0.736348 Y\n0.006178 0.033765 0.287131 Y\n0.279725 0.381999 0.029758 Mg\n0.013122 0.531288 0.509240 Bi\n0.521374 0.980088 0.503275 Bi\n0.552304 0.979437 0.948408 Bi\n0.893138 0.603234 0.988189 Bi\n0.730320 0.259839 0.365646 O\n0.206285 0.224380 0.611168 O\n0.822558 0.809578 0.152353 O\n0.332789 0.656317 0.893778 O\n0.282209 0.729453 0.628448 O\n0.780184 0.770277 0.411803 O\n0.245206 0.160435 0.884027 O\n0.606460 0.386117 0.067936 O\n0.226598 0.334651 0.215327 O\n0.705256 0.144050 0.779682 O\n0.300317 0.827001 0.360162 O\n0.795626 0.634008 0.664676 O\n",
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{
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"structure_string": "Li8 Mn4 P8 O28\n1.0\n0.000181 -0.000329 6.816283\n13.075040 0.000331 0.000375\n0.000196 7.252448 -0.000346\nLi Mn P O\n8 4 8 28\ndirect\n0.000746 0.235229 0.999991 Li\n0.498501 0.735128 0.499508 Li\n0.501186 0.264691 0.999412 Li\n0.998536 0.764825 0.499704 Li\n0.500943 0.735470 0.999510 Li\n0.998749 0.235453 0.499686 Li\n0.000562 0.764573 0.999984 Li\n0.498721 0.264554 0.499537 Li\n0.500686 0.499750 0.499711 Mn\n0.004746 0.000061 0.505655 Mn\n0.995500 0.999846 0.005642 Mn\n0.496975 0.500226 0.996630 Mn\n0.820386 0.387810 0.749420 P\n0.320469 0.887756 0.250721 P\n0.179784 0.387702 0.248970 P\n0.679936 0.887771 0.750176 P\n0.820039 0.612168 0.748846 P\n0.320190 0.112235 0.250387 P\n0.180016 0.612279 0.249555 P\n0.680220 0.112208 0.750517 P\n0.926221 0.500046 0.749118 O\n0.426113 0.000036 0.250394 O\n0.074523 0.500045 0.249267 O\n0.574422 0.000038 0.750125 O\n0.018593 0.308338 0.249542 O\n0.518879 0.808351 0.748446 O\n0.981370 0.308309 0.750612 O\n0.481477 0.808271 0.249332 O\n0.019150 0.691818 0.250599 O\n0.519394 0.191769 0.749208 O\n0.980692 0.691828 0.749612 O\n0.480936 0.191848 0.248542 O\n0.188169 0.115906 0.076498 O\n0.690654 0.616368 0.573217 O\n0.808644 0.116656 0.926771 O\n0.311124 0.616114 0.424018 O\n0.689109 0.384092 0.923805 O\n0.191997 0.883233 0.426934 O\n0.309033 0.383343 0.073254 O\n0.811947 0.884052 0.576326 O\n0.688842 0.616209 0.923268 O\n0.191780 0.116951 0.426617 O\n0.309186 0.616983 0.073811 O\n0.812151 0.116149 0.576640 O\n0.808325 0.883047 0.926478 O\n0.310725 0.383436 0.423560 O\n0.188539 0.883809 0.076746 O\n0.691111 0.383218 0.573703 O\n",
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]
}