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{
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"results": [
{
"id": "mp-683940",
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"structure_string": "Ho3 Fe18 Sn18\n1.0\n5.318825 -0.001485 -0.975632\n-0.491286 8.518396 -2.668333\n-0.004031 0.005148 14.980104\nHo Fe Sn\n3 18 18\ndirect\n0.666829 0.169383 0.335113 Ho\n0.333014 0.830642 0.663662 Ho\n0.999481 0.997786 0.999545 Ho\n0.000140 0.001600 0.500587 Fe\n0.494593 0.244496 0.998725 Fe\n0.663894 0.163060 0.833813 Fe\n0.163108 0.161326 0.833955 Fe\n0.333929 0.328599 0.164748 Fe\n0.504670 0.001316 0.500184 Fe\n0.169827 0.415881 0.334145 Fe\n0.829112 0.080512 0.665713 Fe\n0.831636 0.583014 0.667030 Fe\n0.336534 0.834564 0.165734 Fe\n0.169943 0.918582 0.333608 Fe\n0.837373 0.835566 0.167273 Fe\n0.499190 0.752878 0.000737 Fe\n0.170039 0.668099 0.833856 Fe\n0.998838 0.500466 0.501085 Fe\n0.495659 0.500470 0.499406 Fe\n0.666024 0.670625 0.833917 Fe\n0.835443 0.330274 0.166409 Fe\n0.444191 0.943027 0.887945 Sn\n0.776222 0.279809 0.557493 Sn\n0.115907 0.610215 0.221385 Sn\n0.998949 0.661536 0.998732 Sn\n0.995795 0.335061 0.999901 Sn\n0.330871 0.169364 0.667388 Sn\n0.223856 0.722584 0.442078 Sn\n0.670462 0.504508 0.333139 Sn\n0.557456 0.055125 0.111740 Sn\n0.889282 0.387340 0.778499 Sn\n0.779041 0.776529 0.554140 Sn\n0.889156 0.886334 0.776308 Sn\n0.113038 0.111258 0.222583 Sn\n0.557057 0.553402 0.109902 Sn\n0.220786 0.222537 0.445211 Sn\n0.670786 0.830578 0.332849 Sn\n0.444680 0.443058 0.887703 Sn\n0.334134 0.495807 0.667490 Sn\n",
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{
"id": "mp-1275582",
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"structure_string": "Li4 Mn6 Nb2 O16\n1.0\n0.253888 -3.612023 5.039775\n6.219665 -0.101636 0.248317\n0.093042 6.844500 4.779071\nLi Mn Nb O\n4 6 2 16\ndirect\n0.008470 0.257324 0.126273 Li\n0.509821 0.769630 0.625336 Li\n0.990211 0.730292 0.874717 Li\n0.491492 0.242726 0.373739 Li\n0.750047 0.249929 0.749789 Mn\n0.749816 0.750074 0.250063 Mn\n0.249940 0.249867 0.750123 Mn\n0.991592 0.491248 0.498883 Mn\n0.508786 0.008875 0.001093 Mn\n0.249879 0.750017 0.249952 Mn\n0.006320 0.987924 0.507167 Nb\n0.493882 0.512082 0.992856 Nb\n0.985285 0.525207 0.268271 O\n0.503022 0.040055 0.766703 O\n0.997010 0.459889 0.733246 O\n0.514504 0.974939 0.231728 O\n0.242224 0.758244 0.488431 O\n0.738781 0.269709 0.981685 O\n0.785148 0.755755 0.489451 O\n0.286770 0.260764 0.986807 O\n0.018396 0.984590 0.263339 O\n0.495343 0.504629 0.760958 O\n0.004591 0.995354 0.739066 O\n0.481359 0.515463 0.236714 O\n0.213291 0.239163 0.513270 O\n0.714925 0.744361 0.010625 O\n0.761301 0.230256 0.518079 O\n0.257792 0.741634 0.011635 O\n",
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"formula_full": "Li4 Mn6 Nb2 O16",
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},
{
"id": "mp-1216954",
"created_at": "2022-09-04T14:47:59.546149Z",
"structure_string": "Tm6 Sc6 Ge6\n1.0\n0.000305 0.000156 -6.117502\n-8.673859 0.242944 0.000422\n-4.547203 7.877256 0.000026\nTm Sc Ge\n6 6 6\ndirect\n0.750012 0.261933 0.711954 Tm\n0.749954 0.737891 0.974188 Tm\n0.749988 0.999887 0.300313 Tm\n0.249938 0.741456 0.263142 Tm\n0.250030 0.258514 0.004443 Tm\n0.249999 0.000008 0.746288 Tm\n0.501041 0.312916 0.345173 Sc\n0.500874 0.687196 0.657832 Sc\n0.999150 0.687214 0.657812 Sc\n0.999041 0.312941 0.345169 Sc\n0.749940 0.623325 0.370597 Sc\n0.750104 0.376492 0.994060 Sc\n0.539535 0.000116 0.019354 Ge\n0.960478 0.000132 0.019325 Ge\n0.749980 0.999905 0.612382 Ge\n0.250022 0.401472 0.588063 Ge\n0.249926 0.598514 0.989346 Ge\n0.249987 0.000088 0.400560 Ge\n",
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"formula_full": "Tm6 Sc6 Ge6",
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{
"id": "mp-1212490",
"created_at": "2022-09-04T14:47:59.558417Z",
"structure_string": "Ho6 Al60 Re12\n1.0\n4.660241 -5.179750 0.000000\n4.660241 5.179750 0.000000\n0.000000 0.000000 27.009170\nHo Al Re\n6 60 12\ndirect\n0.875999 0.124001 0.584720 Ho\n0.124001 0.875999 0.415280 Ho\n0.124001 0.875999 0.084720 Ho\n0.875999 0.124001 0.915280 Ho\n0.617092 0.382908 0.750000 Ho\n0.382908 0.617092 0.250000 Ho\n0.597356 0.402644 0.633996 Al\n0.402644 0.597356 0.366004 Al\n0.402644 0.597356 0.133996 Al\n0.597356 0.402644 0.866004 Al\n0.181537 0.403430 0.750000 Al\n0.818463 0.596570 0.250000 Al\n0.596570 0.818463 0.750000 Al\n0.403430 0.181537 0.250000 Al\n0.875371 0.124629 0.145995 Al\n0.124629 0.875371 0.854005 Al\n0.124629 0.875371 0.645995 Al\n0.875371 0.124629 0.354005 Al\n0.370124 0.629876 0.677420 Al\n0.629876 0.370124 0.322580 Al\n0.629876 0.370124 0.177420 Al\n0.370124 0.629876 0.822580 Al\n0.227209 0.471140 0.580669 Al\n0.772791 0.528860 0.419331 Al\n0.772791 0.528860 0.080669 Al\n0.528860 0.772791 0.919331 Al\n0.227209 0.471140 0.919331 Al\n0.471140 0.227209 0.080669 Al\n0.471140 0.227209 0.419331 Al\n0.528860 0.772791 0.580669 Al\n0.961444 0.739394 0.750000 Al\n0.038557 0.260606 0.250000 Al\n0.260606 0.038557 0.750000 Al\n0.739394 0.961443 0.250000 Al\n0.622710 0.377290 0.521960 Al\n0.377290 0.622710 0.478040 Al\n0.377290 0.622710 0.021960 Al\n0.622710 0.377290 0.978040 Al\n0.968503 0.474212 0.671438 Al\n0.031497 0.525788 0.328562 Al\n0.031497 0.525788 0.171438 Al\n0.525788 0.031497 0.828562 Al\n0.968503 0.474212 0.828562 Al\n0.474212 0.968503 0.171438 Al\n0.474212 0.968503 0.328562 Al\n0.525788 0.031497 0.671438 Al\n0.906451 0.093549 0.699684 Al\n0.093549 0.906451 0.300316 Al\n0.093549 0.906451 0.199684 Al\n0.906451 0.093549 0.800316 Al\n0.875959 0.619733 0.582998 Al\n0.124041 0.380267 0.417002 Al\n0.124041 0.380267 0.082998 Al\n0.380267 0.124041 0.917002 Al\n0.875959 0.619733 0.917002 Al\n0.619733 0.875959 0.082998 Al\n0.619733 0.875959 0.417002 Al\n0.380267 0.124041 0.582998 Al\n0.206190 0.206190 0.500000 Al\n0.793810 0.793810 0.500000 Al\n0.793810 0.793810 0.000000 Al\n0.206190 0.206190 0.000000 Al\n0.835188 0.164812 0.034004 Al\n0.164812 0.835188 0.965996 Al\n0.164812 0.835188 0.534004 Al\n0.835188 0.164812 0.465996 Al\n0.248873 0.255370 0.663191 Re\n0.751127 0.744630 0.336809 Re\n0.751127 0.744630 0.163191 Re\n0.744630 0.751127 0.836809 Re\n0.248873 0.255370 0.836809 Re\n0.255370 0.248873 0.163191 Re\n0.255370 0.248873 0.336809 Re\n0.744630 0.751127 0.663191 Re\n0.000000 0.500000 0.500000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.500000 0.000000 0.500000 Re\n",
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"formula_full": "Ho6 Al60 Re12",
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{
"id": "mp-772096",
"created_at": "2022-09-04T14:47:59.575235Z",
"structure_string": "Tm2 Te6 O16\n1.0\n2.789313 6.267271 0.000000\n-2.789313 6.267271 0.000000\n0.000000 4.622918 9.408733\nTm Te O\n2 6 16\ndirect\n0.439133 0.560867 0.750000 Tm\n0.560867 0.439133 0.250000 Tm\n0.865697 0.694973 0.356091 Te\n0.305027 0.134303 0.143909 Te\n0.000000 0.000000 0.500000 Te\n0.694973 0.865697 0.856091 Te\n0.000000 0.000000 0.000000 Te\n0.134303 0.305027 0.643909 Te\n0.633736 0.147670 0.132732 O\n0.782600 0.573343 0.585759 O\n0.844457 0.320956 0.829541 O\n0.218315 0.992639 0.596071 O\n0.852330 0.366264 0.367268 O\n0.573343 0.782600 0.085759 O\n0.007361 0.781685 0.903929 O\n0.320956 0.844457 0.329541 O\n0.679044 0.155543 0.670459 O\n0.992639 0.218315 0.096071 O\n0.426657 0.217400 0.914241 O\n0.147670 0.633736 0.632732 O\n0.781685 0.007361 0.403929 O\n0.155543 0.679044 0.170459 O\n0.217400 0.426657 0.414241 O\n0.366264 0.852330 0.867268 O\n",
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{
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{
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{
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{
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"structure_string": "Co4 Ge1\n1.0\n9.891716 -1.312495 0.000000\n9.891716 1.312495 0.000000\n9.717566 0.000000 2.266628\nCo Ge\n4 1\ndirect\n0.598840 0.598840 0.598840 Co\n0.200320 0.200320 0.200320 Co\n0.799680 0.799680 0.799680 Co\n0.401160 0.401160 0.401160 Co\n0.000000 0.000000 0.000000 Ge\n",
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{
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"structure_string": "Ba4 Fe2 Co2 Cl2 F14\n1.0\n5.958091 0.000000 0.000000\n0.000000 7.826243 0.000000\n0.000000 2.615852 8.689504\nBa Fe Co Cl F\n4 2 2 2 14\ndirect\n0.250000 0.664945 0.589583 Ba\n0.750000 0.335055 0.410417 Ba\n0.250000 0.694956 0.071721 Ba\n0.750000 0.305044 0.928279 Ba\n0.250000 0.170441 0.732378 Fe\n0.750000 0.829559 0.267622 Fe\n0.250000 0.186711 0.172819 Co\n0.750000 0.813289 0.827181 Co\n0.250000 0.117703 0.464062 Cl\n0.750000 0.882297 0.535938 Cl\n0.250000 0.256001 0.934794 F\n0.750000 0.743999 0.065206 F\n0.001329 0.988897 0.829205 F\n0.501329 0.011103 0.170795 F\n0.998671 0.011103 0.170795 F\n0.498671 0.988897 0.829205 F\n0.007467 0.374040 0.159476 F\n0.507467 0.625960 0.840524 F\n0.992533 0.625960 0.840524 F\n0.492533 0.374040 0.159476 F\n0.998378 0.358110 0.654729 F\n0.498378 0.641890 0.345271 F\n0.001622 0.641890 0.345271 F\n0.501622 0.358110 0.654729 F\n",
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],
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"formula_full": "Ba4 Fe2 Co2 Cl2 F14",
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{
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"created_at": "2022-09-04T14:47:59.648183Z",
"structure_string": "K2 Sm2 Mg1 Mo4 O16\n1.0\n-4.039430 -4.956768 4.477511\n3.806016 -4.574197 -4.230484\n4.317098 4.718240 5.493125\nK Sm Mg Mo O\n2 2 1 4 16\ndirect\n0.537701 0.202811 0.376791 K\n0.614045 0.851127 0.785801 K\n0.032046 0.761605 0.205707 Sm\n0.942295 0.248251 0.750359 Sm\n0.201824 0.194414 0.053700 Mg\n0.963970 0.314342 0.283780 Mo\n0.065231 0.718368 0.722504 Mo\n0.531376 0.676242 0.226354 Mo\n0.428664 0.283365 0.749307 Mo\n0.724154 0.142545 0.156012 O\n0.302988 0.905517 0.881379 O\n0.463464 0.476168 0.289007 O\n0.442272 0.458029 0.661466 O\n0.719010 0.922579 0.437819 O\n0.248373 0.031740 0.539658 O\n0.034531 0.392817 0.100698 O\n0.962449 0.621639 0.875782 O\n0.994422 0.635304 0.438412 O\n0.013552 0.379867 0.558445 O\n0.659020 0.606452 0.060888 O\n0.293839 0.343832 0.915436 O\n0.110438 0.115198 0.226614 O\n0.965856 0.955602 0.785661 O\n0.342521 0.777302 0.188595 O\n0.638102 0.208099 0.763158 O\n",
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"volume_molar": 9.246421480022232,
"formula_full": "K2 Sm2 Mg1 Mo4 O16",
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]
}