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{
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{
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"structure_string": "Ti1 Cu3 O4\n1.0\n5.639226 -9.767426 0.000000\n5.639226 9.767426 0.000000\n0.000000 0.000000 10.626766\nTi Cu O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.250016 Cu\n0.666667 0.333333 0.749984 Cu\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.093495 O\n0.333333 0.666667 0.406548 O\n0.666667 0.333333 0.593452 O\n0.666667 0.333333 0.906505 O\n",
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"volume": 1170.6599014732728,
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"formula_full": "Ti1 Cu3 O4",
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{
"id": "mp-1221977",
"created_at": "2022-09-04T14:47:54.882330Z",
"structure_string": "Mn4 Te3 Se1\n1.0\n2.065860 -3.578174 0.000000\n2.065860 3.578174 0.000000\n0.000000 0.000000 11.901783\nMn Te Se\n4 3 1\ndirect\n0.000000 0.000000 0.115003 Mn\n0.000000 0.000000 0.625656 Mn\n0.000000 0.000000 0.374344 Mn\n0.000000 0.000000 0.884997 Mn\n0.666667 0.333333 0.500000 Te\n0.333333 0.666667 0.247889 Te\n0.333333 0.666667 0.752111 Te\n0.666667 0.333333 0.000000 Se\n",
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"formula_full": "Mn4 Te3 Se1",
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{
"id": "mp-20387",
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"structure_string": "Eu1 Sn3\n1.0\n4.791441 0.000000 0.000000\n0.000000 4.791441 0.000000\n0.000000 0.000000 4.791441\nEu Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n",
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"volume": 110.00145618632418,
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{
"id": "mp-1224737",
"created_at": "2022-09-04T14:47:54.885481Z",
"structure_string": "Fe2 Cu1 Ni1 Pt4\n1.0\n2.719927 0.000000 0.000000\n0.000000 2.719927 0.000000\n0.000000 0.000000 14.886987\nFe Cu Ni Pt\n2 1 1 4\ndirect\n0.000000 0.000000 0.498876 Fe\n0.000000 0.000000 0.750639 Fe\n0.000000 0.000000 0.001642 Cu\n0.000000 0.000000 0.248539 Ni\n0.500000 0.500000 0.127822 Pt\n0.500000 0.500000 0.373683 Pt\n0.500000 0.500000 0.624501 Pt\n0.500000 0.500000 0.874299 Pt\n",
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"density_atomic": 0.07263880343253436,
"volume": 110.13397277985533,
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"formula_full": "Fe2 Cu1 Ni1 Pt4",
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{
"id": "mp-1180426",
"created_at": "2022-09-04T14:47:54.898556Z",
"structure_string": "Na4 Ge2 S6 O14\n1.0\n6.826531 0.000000 0.000000\n0.519914 7.291080 0.000000\n1.002855 3.197291 9.054667\nNa Ge S O\n4 2 6 14\ndirect\n0.209388 0.387962 0.561282 Na\n0.790612 0.612038 0.438718 Na\n0.528624 0.425741 0.789027 Na\n0.471376 0.574259 0.210973 Na\n0.100786 0.016567 0.129450 Ge\n0.899214 0.983433 0.870550 Ge\n0.973616 0.415920 0.099547 S\n0.026384 0.584080 0.900453 S\n0.214589 0.944393 0.425921 S\n0.785411 0.055607 0.574079 S\n0.255108 0.999305 0.890728 S\n0.744892 0.000695 0.109272 S\n0.178794 0.743155 0.173329 O\n0.821206 0.256845 0.826671 O\n0.040268 0.817096 0.468479 O\n0.959732 0.182904 0.531521 O\n0.483510 0.410269 0.041193 O\n0.516490 0.589731 0.958807 O\n0.412329 0.627745 0.576195 O\n0.587671 0.372255 0.423805 O\n0.338031 0.187222 0.777856 O\n0.661969 0.812778 0.222144 O\n0.086841 0.575268 0.268812 O\n0.913159 0.424732 0.731188 O\n0.604108 0.166943 0.471292 O\n0.395892 0.833057 0.528708 O\n",
"nsites": 26,
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],
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"density": 2.4082993403619635,
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"volume": 450.67598155475815,
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"formula_full": "Na4 Ge2 S6 O14",
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"spacegroup": 2
},
{
"id": "mp-1048631",
"created_at": "2022-09-04T14:47:56.303371Z",
"structure_string": "Sr3 Ca1 Mn2 S2 O5\n1.0\n-1.986960 1.986960 14.380009\n1.986960 -1.986960 14.380009\n1.986960 1.986960 -14.380009\nSr Ca Mn S O\n3 1 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.630772 0.630772 0.000000 Sr\n0.369228 0.369228 0.000000 Sr\n0.750000 0.250000 0.500000 Ca\n0.068189 0.068189 0.000000 Mn\n0.931811 0.931811 0.000000 Mn\n0.184780 0.184780 0.000000 S\n0.815220 0.815220 0.000000 S\n0.075073 0.575073 0.500000 O\n0.575313 0.075313 0.500000 O\n0.924687 0.424687 0.500000 O\n0.424927 0.924927 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"elements": [
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],
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"volume": 227.0896797211935,
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"formula_full": "Sr3 Ca1 Mn2 S2 O5",
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"spacegroup": 119
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{
"id": "mp-1189617",
"created_at": "2022-09-04T14:47:54.904519Z",
"structure_string": "Gd6 Cu6 Sb8\n1.0\n-4.834344 4.834344 4.834344\n4.834344 -4.834344 4.834344\n4.834344 4.834344 -4.834344\nGd Cu Sb\n6 6 8\ndirect\n0.875000 0.250000 0.125000 Gd\n0.625000 0.750000 0.375000 Gd\n0.250000 0.125000 0.875000 Gd\n0.750000 0.375000 0.625000 Gd\n0.125000 0.875000 0.250000 Gd\n0.375000 0.625000 0.750000 Gd\n0.375000 0.250000 0.625000 Cu\n0.125000 0.750000 0.875000 Cu\n0.250000 0.625000 0.375000 Cu\n0.750000 0.875000 0.125000 Cu\n0.625000 0.375000 0.250000 Cu\n0.875000 0.125000 0.750000 Cu\n0.659057 0.500000 0.000000 Sb\n0.500000 0.000000 0.659057 Sb\n0.000000 0.659057 0.500000 Sb\n0.840943 0.840943 0.840943 Sb\n0.500000 0.000000 0.159057 Sb\n0.159057 0.500000 0.000000 Sb\n0.000000 0.159057 0.500000 Sb\n0.340943 0.340943 0.340943 Sb\n",
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{
"id": "mp-504246",
"created_at": "2022-09-04T14:47:56.304869Z",
"structure_string": "Li16 Ni16 P16 O64\n1.0\n4.947114 8.614341 0.000000\n-4.947114 8.614341 0.000000\n0.000000 3.014807 16.238004\nLi Ni P O\n16 16 16 64\ndirect\n0.882771 0.266446 0.127498 Li\n0.440786 0.773453 0.126158 Li\n0.266446 0.882771 0.627498 Li\n0.773453 0.440786 0.626158 Li\n0.993029 0.335772 0.377851 Li\n0.503938 0.890275 0.377350 Li\n0.335772 0.993029 0.877851 Li\n0.890275 0.503938 0.877350 Li\n0.380095 0.279208 0.126863 Li\n0.936494 0.782583 0.123965 Li\n0.279208 0.380095 0.626863 Li\n0.782583 0.936494 0.623965 Li\n0.999567 0.831963 0.375951 Li\n0.498892 0.393077 0.381177 Li\n0.831963 0.999567 0.875951 Li\n0.393077 0.498892 0.881177 Li\n0.203907 0.807460 0.003470 Ni\n0.807460 0.203907 0.503470 Ni\n0.700447 0.589689 0.246889 Ni\n0.244451 0.087784 0.246134 Ni\n0.144992 0.307505 0.001744 Ni\n0.702192 0.804837 0.005484 Ni\n0.589689 0.700447 0.746889 Ni\n0.087784 0.244451 0.746134 Ni\n0.307505 0.144992 0.501744 Ni\n0.804837 0.702192 0.505484 Ni\n0.185376 0.564962 0.257080 Ni\n0.745265 0.095140 0.248126 Ni\n0.653359 0.301484 0.007560 Ni\n0.564962 0.185376 0.757080 Ni\n0.095140 0.745265 0.748126 Ni\n0.301484 0.653359 0.507560 Ni\n0.100372 0.912586 0.191713 P\n0.912586 0.100372 0.691713 P\n0.162138 0.990314 0.436924 P\n0.658189 0.546309 0.439582 P\n0.990314 0.162138 0.936924 P\n0.546309 0.658189 0.939582 P\n0.039658 0.419463 0.187414 P\n0.598091 0.923029 0.192155 P\n0.419463 0.039658 0.687414 P\n0.923029 0.598091 0.692155 P\n0.158831 0.489996 0.442284 P\n0.663253 0.044000 0.439548 P\n0.489996 0.158831 0.942284 P\n0.044001 0.663253 0.939548 P\n0.538499 0.422449 0.194136 P\n0.422449 0.538499 0.694136 P\n0.954019 0.074548 0.207349 O\n0.425294 0.745573 0.011933 O\n0.535023 0.578297 0.199350 O\n0.496934 0.560853 0.434589 O\n0.986582 0.237369 0.014454 O\n0.247922 0.932144 0.182637 O\n0.074548 0.954019 0.707349 O\n0.999624 0.138870 0.428512 O\n0.745573 0.425294 0.511933 O\n0.578297 0.535023 0.699350 O\n0.560853 0.496934 0.934589 O\n0.762878 0.485776 0.358517 O\n0.274762 0.993720 0.361215 O\n0.879787 0.435717 0.177465 O\n0.237369 0.986582 0.514454 O\n0.932144 0.247922 0.682637 O\n0.138870 0.999624 0.928512 O\n0.602648 0.840775 0.117895 O\n0.634524 0.707982 0.453972 O\n0.110844 0.313888 0.267225 O\n0.603101 0.811243 0.270433 O\n0.485776 0.762878 0.858517 O\n0.993720 0.274762 0.861215 O\n0.435717 0.879787 0.677465 O\n0.158903 0.336375 0.114162 O\n0.445372 0.082337 0.200980 O\n0.135099 0.344725 0.454695 O\n0.840775 0.602648 0.617895 O\n0.707982 0.634524 0.953972 O\n0.313888 0.110844 0.767225 O\n0.811243 0.603101 0.770433 O\n0.922978 0.744190 0.012957 O\n0.019981 0.582669 0.193851 O\n0.336375 0.158903 0.614162 O\n0.504141 0.056309 0.430519 O\n0.494159 0.232730 0.017706 O\n0.741681 0.949102 0.179219 O\n0.082337 0.445372 0.700980 O\n0.997226 0.638459 0.429927 O\n0.344725 0.135099 0.954695 O\n0.744190 0.922978 0.512957 O\n0.582669 0.019981 0.693851 O\n0.056309 0.504141 0.930519 O\n0.272216 0.484391 0.364926 O\n0.774632 0.985230 0.360544 O\n0.373817 0.454286 0.179734 O\n0.232730 0.494159 0.517706 O\n0.949102 0.741681 0.679219 O\n0.638459 0.997226 0.929927 O\n0.092780 0.854552 0.111516 O\n0.633946 0.206975 0.455872 O\n0.103553 0.790885 0.263973 O\n0.598581 0.313805 0.274227 O\n0.484391 0.272216 0.864926 O\n0.985230 0.774632 0.860544 O\n0.657215 0.329709 0.122233 O\n0.454286 0.373817 0.679734 O\n0.142852 0.842947 0.445863 O\n0.854552 0.092780 0.611516 O\n0.206975 0.633946 0.955872 O\n0.790885 0.103553 0.763973 O\n0.313805 0.598581 0.774227 O\n0.329709 0.657215 0.622233 O\n0.842947 0.142852 0.945863 O\n",
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{
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