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{
"id": "mp-1224668",
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{
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"structure_string": "Ba6 La4 C10 O30 F4\n1.0\n2.581759 10.854595 0.000000\n-2.581759 10.854595 0.000000\n0.000000 1.124444 13.409738\nBa La C O F\n6 4 10 30 4\ndirect\n0.686291 0.686291 0.904646 Ba\n0.000000 0.000000 0.000000 Ba\n0.313709 0.313709 0.095354 Ba\n0.192447 0.192447 0.399987 Ba\n0.807553 0.807553 0.600013 Ba\n0.500000 0.500000 0.500000 Ba\n0.105607 0.105607 0.711849 La\n0.894393 0.894393 0.288151 La\n0.600036 0.600036 0.185063 La\n0.399964 0.399964 0.814937 La\n0.541480 0.541480 0.800106 C\n0.048175 0.048175 0.353774 C\n0.246379 0.246379 0.724831 C\n0.650338 0.650338 0.539918 C\n0.951825 0.951825 0.646226 C\n0.458520 0.458520 0.199894 C\n0.349662 0.349662 0.460082 C\n0.160914 0.160914 0.097082 C\n0.839086 0.839086 0.902918 C\n0.753621 0.753621 0.275169 C\n0.568079 0.000617 0.275155 O\n0.294420 0.294420 0.503429 O\n0.431921 0.999383 0.724845 O\n0.990288 0.990288 0.386013 O\n0.897214 0.897214 0.868677 O\n0.269618 0.705244 0.186133 O\n0.400583 0.400583 0.233545 O\n0.295822 0.859662 0.341107 O\n0.705244 0.269618 0.186133 O\n0.859662 0.295822 0.341107 O\n0.403680 0.839084 0.558918 O\n0.999383 0.431921 0.724845 O\n0.704178 0.140338 0.658893 O\n0.596320 0.160916 0.441082 O\n0.102786 0.102786 0.131323 O\n0.029588 0.591655 0.916844 O\n0.730382 0.294756 0.813867 O\n0.970412 0.408345 0.083156 O\n0.160916 0.596320 0.441082 O\n0.009712 0.009712 0.613987 O\n0.306059 0.306059 0.720179 O\n0.294756 0.730382 0.813867 O\n0.599417 0.599417 0.766455 O\n0.705580 0.705580 0.496571 O\n0.140338 0.704178 0.658893 O\n0.000617 0.568079 0.275155 O\n0.408345 0.970412 0.083156 O\n0.839084 0.403680 0.558918 O\n0.693941 0.693941 0.279821 O\n0.591655 0.029588 0.916844 O\n0.573626 0.573626 0.016643 F\n0.125336 0.125336 0.885433 F\n0.426374 0.426374 0.983357 F\n0.874664 0.874664 0.114567 F\n",
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"formula_full": "Ba6 La4 C10 O30 F4",
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"spacegroup": 12
},
{
"id": "mp-1522789",
"created_at": "2022-09-04T14:44:24.142948Z",
"structure_string": "Sr2 Nd2 Eu2 Sb2 O12\n1.0\n5.920251 -0.004029 -0.016643\n-0.009825 6.041223 -0.003753\n-0.032682 -0.013117 8.446797\nSr Nd Eu Sb O\n2 2 2 2 12\ndirect\n0.988047 0.046054 0.250730 Sr\n0.011953 0.953946 0.749270 Sr\n-0.000000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.513377 0.547041 0.248602 Eu\n0.486623 0.452959 0.751398 Eu\n0.500000 -0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.222841 0.188585 0.951377 O\n0.276873 0.687482 0.552641 O\n0.777159 0.811415 0.048623 O\n0.723127 0.312518 0.447359 O\n0.320103 0.721403 0.945806 O\n0.182787 0.223343 0.553171 O\n0.679897 0.278597 0.054194 O\n0.817213 0.776657 0.446829 O\n0.406366 0.963333 0.229983 O\n0.101969 0.469471 0.270375 O\n0.593634 0.036667 0.770017 O\n0.898031 0.530529 0.729625 O\n",
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"formula_full": "Sr2 Nd2 Eu2 Sb2 O12",
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"formula_anonymous": "ABCDE6",
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{
"id": "mp-778965",
"created_at": "2022-09-04T14:42:16.709212Z",
"structure_string": "Li8 Mn12 B12 O36\n1.0\n6.348222 0.000000 0.000000\n-0.000671 8.232265 0.000000\n-3.147410 -0.002565 14.386489\nLi Mn B O\n8 12 12 36\ndirect\n0.253329 0.708911 0.010646 Li\n0.754451 0.710759 0.009231 Li\n0.572939 0.656984 0.639320 Li\n0.924573 0.630388 0.350462 Li\n0.007512 0.210662 0.510600 Li\n0.505950 0.207909 0.510053 Li\n0.319323 0.158596 0.140482 Li\n0.673704 0.129579 0.850527 Li\n0.248107 0.857906 0.494209 Mn\n0.745351 0.857671 0.494148 Mn\n0.097929 0.828072 0.190103 Mn\n0.595297 0.830493 0.188988 Mn\n0.402415 0.813417 0.815712 Mn\n0.911783 0.814750 0.817025 Mn\n0.498083 0.356497 0.994700 Mn\n0.999882 0.358310 0.993437 Mn\n0.341493 0.329861 0.688545 Mn\n0.851830 0.328911 0.690410 Mn\n0.158135 0.313785 0.316110 Mn\n0.660041 0.313205 0.315888 Mn\n0.999758 0.996102 0.000368 B\n0.499154 0.993823 0.000206 B\n0.078278 0.004128 0.663080 B\n0.583056 0.001044 0.665825 B\n0.919622 0.997072 0.334957 B\n0.416503 0.006241 0.335645 B\n0.252314 0.495469 0.500953 B\n0.751854 0.494636 0.500993 B\n0.670212 0.500529 0.832893 B\n0.169598 0.501103 0.837773 B\n0.330708 0.504318 0.164050 B\n0.835314 0.502249 0.165251 B\n0.533622 0.987600 0.570361 O\n0.033972 0.978488 0.568095 O\n0.369836 0.986403 0.238593 O\n0.874173 0.975189 0.239470 O\n0.947404 0.860402 0.392127 O\n0.446289 0.874922 0.393125 O\n0.109855 0.880231 0.726393 O\n0.608606 0.862314 0.720334 O\n0.023016 0.844785 0.044508 O\n0.519520 0.842343 0.044136 O\n0.188124 0.659124 0.873267 O\n0.686422 0.655222 0.870243 O\n0.350377 0.659661 0.200366 O\n0.852373 0.658388 0.202585 O\n0.295261 0.634737 0.552196 O\n0.761920 0.634141 0.552063 O\n0.181851 0.501687 0.405678 O\n0.723170 0.500783 0.405736 O\n0.785776 0.480946 0.069801 O\n0.280810 0.485272 0.068587 O\n0.117347 0.477421 0.742158 O\n0.624970 0.480394 0.735600 O\n0.201672 0.368801 0.895860 O\n0.697619 0.364022 0.889038 O\n0.360774 0.366836 0.220038 O\n0.868958 0.374767 0.227085 O\n0.278690 0.343696 0.544762 O\n0.771145 0.342748 0.545580 O\n0.936883 0.152107 0.372835 O\n0.432011 0.164707 0.371596 O\n0.092339 0.164574 0.694109 O\n0.607556 0.153416 0.708131 O\n0.043571 0.135891 0.051587 O\n0.507474 0.133144 0.051875 O\n0.471520 0.001512 0.904920 O\n0.932293 0.004058 0.905061 O\n",
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{
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"structure_string": "Sn4 W4 O16\n1.0\n7.620549 0.000000 0.000000\n0.000000 7.620549 0.000000\n0.000000 0.000000 7.620549\nSn W O\n4 4 16\ndirect\n0.819879 0.819879 0.819879 Sn\n0.680121 0.180121 0.319879 Sn\n0.319879 0.680121 0.180121 Sn\n0.180121 0.319879 0.680121 Sn\n0.165477 0.165477 0.165477 W\n0.334523 0.834523 0.665477 W\n0.665477 0.334523 0.834523 W\n0.834523 0.665477 0.334523 W\n0.647938 0.232936 0.048471 O\n0.147938 0.267064 0.951529 O\n0.352062 0.732936 0.451529 O\n0.267064 0.951529 0.147938 O\n0.451529 0.352062 0.732936 O\n0.951529 0.147938 0.267064 O\n0.232936 0.048471 0.647938 O\n0.048471 0.647938 0.232936 O\n0.299517 0.299517 0.299517 O\n0.200483 0.700483 0.799517 O\n0.799517 0.200483 0.700483 O\n0.700483 0.799517 0.200483 O\n0.852062 0.767064 0.548471 O\n0.548471 0.852062 0.767064 O\n0.767064 0.548471 0.852062 O\n0.732936 0.451529 0.352062 O\n",
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{
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"structure_string": "Sm4 Zr1 Fe33\n1.0\n4.281381 2.479324 4.168784\n-4.281381 2.479324 4.168784\n0.000000 -9.972870 8.370946\nSm Zr Fe\n4 1 33\ndirect\n0.650797 0.650797 0.321075 Sm\n0.658442 0.658442 0.830610 Sm\n0.341402 0.341402 0.167787 Sm\n0.341018 0.341018 0.675045 Sm\n0.906144 0.906144 0.451915 Zr\n0.845594 0.342825 0.168026 Fe\n0.845273 0.338926 0.672558 Fe\n0.339788 0.339788 0.421039 Fe\n0.341832 0.341832 0.921984 Fe\n0.342825 0.845594 0.168026 Fe\n0.338926 0.845273 0.672558 Fe\n0.164367 0.653240 0.325641 Fe\n0.154667 0.657901 0.830633 Fe\n0.658831 0.658831 0.076836 Fe\n0.655567 0.655567 0.583995 Fe\n0.653240 0.164367 0.325641 Fe\n0.657901 0.154667 0.830633 Fe\n0.005316 0.005316 0.244322 Fe\n0.997206 0.997206 0.751982 Fe\n0.003562 0.487919 0.502397 Fe\n0.000591 0.500188 0.999571 Fe\n0.500188 0.000591 0.999571 Fe\n0.487919 0.003562 0.502397 Fe\n0.308428 0.692871 0.500893 Fe\n0.292851 0.707143 0.000135 Fe\n0.709874 0.001729 0.143983 Fe\n0.702159 0.002593 0.648855 Fe\n0.999079 0.302021 0.350560 Fe\n0.997180 0.289762 0.856305 Fe\n0.302021 0.999079 0.350560 Fe\n0.289762 0.997180 0.856305 Fe\n0.001729 0.709874 0.143983 Fe\n0.002593 0.702159 0.648855 Fe\n0.707143 0.292851 0.000135 Fe\n0.692871 0.308428 0.500893 Fe\n0.903896 0.903896 0.950937 Fe\n0.096879 0.096879 0.046364 Fe\n0.102140 0.102140 0.556993 Fe\n",
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{
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{
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"structure_string": "Mg1 U1 Ru2\n1.0\n0.000000 3.263305 3.263305\n3.263305 0.000000 3.263305\n3.263305 3.263305 0.000000\nMg U Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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