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{
"id": "mp-1019898",
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{
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},
{
"id": "mp-1026531",
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"structure_string": "Mg14 Nb1 W1\n1.0\n6.307828 0.136677 0.000000\n-3.035548 5.257724 0.000000\n0.000000 0.000000 10.063746\nMg Nb W\n14 1 1\ndirect\n0.166658 0.333329 0.625000 Mg\n0.165147 0.832573 0.625000 Mg\n0.661023 0.329087 0.125000 Mg\n0.663400 0.332526 0.625000 Mg\n0.661023 0.831935 0.125000 Mg\n0.663400 0.830873 0.625000 Mg\n0.327571 0.161468 0.363836 Mg\n0.327571 0.161468 0.886164 Mg\n0.327571 0.666104 0.363836 Mg\n0.327571 0.666104 0.886164 Mg\n0.847045 0.173523 0.371714 Mg\n0.847045 0.173523 0.878286 Mg\n0.850533 0.675267 0.364982 Mg\n0.850533 0.675267 0.885018 Mg\n0.156535 0.328267 0.125000 Nb\n0.157375 0.828687 0.125000 W\n",
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{
"id": "mp-1001913",
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"structure_string": "Ho1 Bi1\n1.0\n3.883022 0.000000 0.000000\n0.000000 3.883022 0.000000\n0.000000 0.000000 3.883022\nHo Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Bi\n",
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{
"id": "mp-582657",
"created_at": "2022-09-04T14:39:07.480487Z",
"structure_string": "Ti8 Te18 I8 O2\n1.0\n3.164953 11.531509 0.000000\n-3.164953 11.531509 0.000000\n0.000000 10.986938 16.834840\nTi Te I O\n8 18 8 2\ndirect\n0.004378 0.124067 0.139471 Ti\n0.595530 0.257441 0.234168 Ti\n0.124067 0.004378 0.639471 Ti\n0.404470 0.742559 0.765832 Ti\n0.257441 0.595530 0.734168 Ti\n0.875933 0.995622 0.360529 Ti\n0.742559 0.404470 0.265832 Ti\n0.995622 0.875933 0.860529 Ti\n0.695243 0.304757 0.750000 Te\n0.405634 0.653089 0.569820 Te\n0.816354 0.846240 0.327898 Te\n0.461045 0.212395 0.401188 Te\n0.067186 0.035376 0.874909 Te\n0.183646 0.153760 0.672102 Te\n0.594366 0.346911 0.430180 Te\n0.846240 0.816354 0.827898 Te\n0.153760 0.183646 0.172102 Te\n0.304757 0.695243 0.250000 Te\n0.964624 0.932814 0.625091 Te\n0.212395 0.461045 0.901188 Te\n0.653089 0.405634 0.069820 Te\n0.932814 0.964624 0.125091 Te\n0.787605 0.538955 0.098812 Te\n0.538955 0.787605 0.598812 Te\n0.035376 0.067186 0.374909 Te\n0.346911 0.594366 0.930180 Te\n0.734147 0.591486 0.784806 I\n0.265853 0.408513 0.215194 I\n0.408514 0.265853 0.715194 I\n0.591487 0.734147 0.284806 I\n0.966335 0.319116 0.503186 I\n0.033665 0.680884 0.496814 I\n0.680884 0.033665 0.996814 I\n0.319116 0.966335 0.003186 I\n0.804186 0.195814 0.250000 O\n0.195814 0.804186 0.750000 O\n",
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"formula_full": "Ti8 Te18 I8 O2",
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{
"id": "mp-1017377",
"created_at": "2022-09-04T14:39:07.486883Z",
"structure_string": "Mg6 Si1 B1\n1.0\n3.891670 -4.938007 0.000000\n3.891670 4.938007 0.000000\n0.000000 0.000000 3.975708\nMg Si B\n6 1 1\ndirect\n0.813606 0.555797 0.000000 Mg\n0.444203 0.186394 0.000000 Mg\n0.371365 0.628635 0.000000 Mg\n0.663645 0.897773 0.500000 Mg\n0.102227 0.336355 0.500000 Mg\n0.140363 0.859637 0.500000 Mg\n0.946496 0.053504 0.000000 Si\n0.518093 0.481907 0.500000 B\n",
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{
"id": "mp-1223158",
"created_at": "2022-09-04T14:39:07.490789Z",
"structure_string": "Na1 Eu1 Ti8 P12 O48\n1.0\n-4.266330 -7.383542 0.002379\n8.532226 -4.924561 7.335854\n-4.268248 2.459895 7.337231\nNa Eu Ti P O\n1 1 8 12 48\ndirect\n0.999678 0.999782 0.000106 Na\n0.500174 0.500038 0.499979 Eu\n0.000602 0.361413 0.724310 Ti\n0.499618 0.862843 0.225172 Ti\n0.999511 0.638489 0.275759 Ti\n0.500346 0.137198 0.774925 Ti\n0.499214 0.349147 0.199673 Ti\n0.000786 0.855791 0.709733 Ti\n0.500721 0.650884 0.800319 Ti\n0.999281 0.144206 0.289974 Ti\n0.214057 0.243475 0.996763 P\n0.716890 0.744368 0.498638 P\n0.638608 0.391087 0.848916 P\n0.136087 0.891351 0.352156 P\n0.146626 0.607155 0.635557 P\n0.648097 0.105927 0.133857 P\n0.785867 0.756591 0.003352 P\n0.283002 0.255687 0.501386 P\n0.361628 0.608949 0.151149 P\n0.863841 0.108658 0.647545 P\n0.853394 0.392741 0.364425 P\n0.351836 0.894090 0.866252 P\n0.953974 0.484699 0.289271 O\n0.454946 0.984290 0.790022 O\n0.862899 0.666996 0.106989 O\n0.362407 0.167634 0.605282 O\n0.182296 0.621144 0.151222 O\n0.683303 0.122359 0.652174 O\n0.046089 0.515281 0.710810 O\n0.545172 0.015709 0.210105 O\n0.137137 0.333002 0.893124 O\n0.637591 0.832426 0.394863 O\n0.817869 0.378898 0.848830 O\n0.316486 0.877682 0.347875 O\n0.913133 0.822757 0.917205 O\n0.415041 0.324134 0.418199 O\n0.406069 0.501575 0.241790 O\n0.908098 0.002199 0.736906 O\n0.677440 0.417370 0.325330 O\n0.179082 0.914942 0.825702 O\n0.086910 0.177292 0.082852 O\n0.584885 0.675919 0.581886 O\n0.594056 0.498416 0.758255 O\n0.091717 0.997746 0.262847 O\n0.322609 0.582657 0.674599 O\n0.820891 0.085131 0.174086 O\n0.314207 0.303959 0.114014 O\n0.815611 0.800284 0.617471 O\n0.586836 0.401079 0.015563 O\n0.086995 0.900026 0.519520 O\n0.100773 0.715610 0.702545 O\n0.596803 0.214972 0.202288 O\n0.685713 0.696069 0.886063 O\n0.184337 0.199671 0.382683 O\n0.413290 0.598929 0.984485 O\n0.912757 0.099974 0.480204 O\n0.899309 0.284389 0.297240 O\n0.403151 0.785039 0.797832 O\n0.630045 0.115043 0.961399 O\n0.135631 0.610998 0.461906 O\n0.318274 0.167026 0.909161 O\n0.813228 0.662474 0.410968 O\n0.551901 0.299045 0.773614 O\n0.051500 0.795205 0.282688 O\n0.369860 0.884977 0.038557 O\n0.864339 0.388835 0.538064 O\n0.681863 0.833120 0.090866 O\n0.186742 0.337559 0.589075 O\n0.448324 0.700912 0.226419 O\n0.948550 0.204677 0.717209 O\n",
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:39:07.520007Z",
"structure_string": "Tb1 Ce3\n1.0\n-2.395599 2.395599 4.876396\n2.395599 -2.395599 4.876396\n2.395599 2.395599 -4.876396\nTb Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n",
"nsites": 4,
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"elements": [
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"Ce"
],
"chemical_system": "Ce-Tb",
"density": 8.593012476873543,
"density_atomic": 0.035733272180432145,
"volume": 111.94049007889166,
"volume_molar": 16.853034699961725,
"formula_full": "Tb1 Ce3",
"formula_reduced": "TbCe3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:34:26.409000Z",
"spacegroup": 139
},
{
"id": "mp-39387",
"created_at": "2022-09-04T14:39:06.498898Z",
"structure_string": "Sr2 Li2 Ta4 O12 F2\n1.0\n-3.710337 3.763242 5.267826\n3.710337 -3.763242 5.267826\n3.710337 3.763242 -5.267826\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.063512 0.930541 0.745370 O\n0.071113 0.321113 0.750000 O\n0.063512 0.318142 0.132971 O\n0.685171 0.930541 0.367029 O\n0.936488 0.069459 0.254630 O\n0.688605 0.938605 0.750000 O\n0.928887 0.678887 0.250000 O\n0.685171 0.318142 0.754630 O\n0.936488 0.681858 0.867029 O\n0.314829 0.069459 0.632971 O\n0.314829 0.681858 0.245370 O\n0.311395 0.061395 0.250000 O\n0.600630 0.350630 0.250000 F\n0.399370 0.649370 0.750000 F\n",
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"nelements": 5,
"elements": [
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],
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"formula_full": "Sr2 Li2 Ta4 O12 F2",
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"updated_at": "2021-11-28T01:34:26.934000Z",
"spacegroup": 74
}
]
}