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"results": [
{
"id": "mp-16159",
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"structure_string": "Pr16 Si8 S12 O28\n1.0\n-6.054098 6.054098 7.166619\n6.054098 -6.054098 7.166619\n6.054098 6.054098 -7.166619\nPr Si S O\n16 8 12 28\ndirect\n0.421323 0.921323 0.842647 Pr\n0.671323 0.328677 0.000000 Pr\n0.328677 0.671323 0.000000 Pr\n0.078677 0.578677 0.157353 Pr\n0.328677 0.328677 0.657353 Pr\n0.078677 0.921323 0.500000 Pr\n0.421323 0.578677 0.500000 Pr\n0.671323 0.671323 0.342647 Pr\n0.031674 0.794683 0.763009 Pr\n0.031674 0.268666 0.236991 Pr\n0.205317 0.968326 0.236991 Pr\n0.018666 0.281674 0.736991 Pr\n0.544683 0.281674 0.263009 Pr\n0.718326 0.981334 0.263009 Pr\n0.718326 0.455317 0.736991 Pr\n0.731334 0.968326 0.763009 Pr\n0.277282 0.401299 0.124017 Si\n0.277282 0.153265 0.875983 Si\n0.598701 0.722718 0.875983 Si\n0.903265 0.527282 0.375983 Si\n0.151299 0.527282 0.624017 Si\n0.472718 0.096735 0.624017 Si\n0.472718 0.848701 0.375983 Si\n0.846735 0.722718 0.124017 Si\n0.500000 0.500000 0.000000 S\n0.250000 0.750000 0.500000 S\n0.750000 0.250000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.875000 0.975974 0.600974 S\n0.725974 0.625000 0.600974 S\n0.024026 0.125000 0.399026 S\n0.375000 0.274026 0.399026 S\n0.875000 0.274026 0.899026 S\n0.024026 0.625000 0.899026 S\n0.725974 0.125000 0.100974 S\n0.375000 0.975974 0.100974 S\n0.770763 0.770763 0.000000 O\n0.520763 0.020763 0.500000 O\n0.979237 0.479237 0.500000 O\n0.229237 0.229237 0.000000 O\n0.200300 0.974143 0.773843 O\n0.200300 0.426457 0.226157 O\n0.025857 0.799700 0.226157 O\n0.176457 0.450300 0.726157 O\n0.724143 0.450300 0.273843 O\n0.549700 0.823543 0.273843 O\n0.549700 0.275857 0.726157 O\n0.573543 0.799700 0.773843 O\n0.300269 0.059358 0.522034 O\n0.537323 0.778234 0.477966 O\n0.940642 0.699731 0.477966 O\n0.528234 0.550269 0.740911 O\n0.809358 0.787323 0.259089 O\n0.449731 0.471766 0.259089 O\n0.212677 0.190642 0.740911 O\n0.221766 0.462677 0.522034 O\n0.449731 0.190642 0.977966 O\n0.212677 0.471766 0.022034 O\n0.809358 0.550269 0.022034 O\n0.221766 0.699731 0.759089 O\n0.940642 0.462677 0.240911 O\n0.300269 0.778234 0.240911 O\n0.537323 0.059358 0.759089 O\n0.528234 0.787323 0.977966 O\n",
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"formula_full": "Pr16 Si8 S12 O28",
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"spacegroup": 141
},
{
"id": "mp-780118",
"created_at": "2022-09-04T14:47:09.626548Z",
"structure_string": "Na16 Ni8 O20\n1.0\n5.619916 0.000000 0.000000\n0.000000 9.073908 0.000000\n0.000000 5.858927 11.261005\nNa Ni O\n16 8 20\ndirect\n0.927979 0.199205 0.962651 Na\n0.587891 0.702288 0.960074 Na\n0.118601 0.609037 0.869841 Na\n0.373365 0.124874 0.861275 Na\n0.618601 0.390963 0.630159 Na\n0.873365 0.875126 0.638725 Na\n0.427979 0.800795 0.537349 Na\n0.912109 0.702288 0.460074 Na\n0.087891 0.297712 0.539926 Na\n0.572021 0.199205 0.462651 Na\n0.126635 0.124874 0.361275 Na\n0.381399 0.609037 0.369841 Na\n0.626635 0.875126 0.138725 Na\n0.881399 0.390963 0.130159 Na\n0.412109 0.297712 0.039926 Na\n0.072021 0.800795 0.037349 Na\n0.616555 0.541958 0.799951 Ni\n0.116555 0.458042 0.700049 Ni\n0.843957 0.044260 0.797223 Ni\n0.343957 0.955740 0.702777 Ni\n0.656043 0.044260 0.297223 Ni\n0.156043 0.955740 0.202777 Ni\n0.883445 0.541958 0.299951 Ni\n0.383445 0.458042 0.200049 Ni\n0.763708 0.450931 0.943632 O\n0.341168 0.411273 0.823177 O\n0.734708 0.970528 0.946807 O\n0.082238 0.891155 0.807147 O\n0.520371 0.758046 0.758565 O\n0.841168 0.588727 0.676823 O\n0.020371 0.241954 0.741435 O\n0.582238 0.108845 0.692853 O\n0.263708 0.549069 0.556368 O\n0.234708 0.029472 0.553193 O\n0.765292 0.970528 0.446807 O\n0.736292 0.450931 0.443632 O\n0.417762 0.891155 0.307147 O\n0.979629 0.758046 0.258565 O\n0.158832 0.411273 0.323177 O\n0.479629 0.241954 0.241435 O\n0.917762 0.108845 0.192853 O\n0.265292 0.029472 0.053193 O\n0.658832 0.588727 0.176823 O\n0.236292 0.549069 0.056368 O\n",
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"formula_full": "Na16 Ni8 O20",
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{
"id": "mp-505229",
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"structure_string": "Al12 Fe4 Si8\n1.0\n6.065562 0.000000 0.000000\n0.000000 6.072298 0.000000\n0.000000 0.000000 9.483552\nAl Fe Si\n12 4 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.140393 0.633596 0.863790 Al\n0.640393 0.866404 0.136210 Al\n0.859607 0.633596 0.636210 Al\n0.359607 0.866404 0.363790 Al\n0.859607 0.366404 0.136210 Al\n0.359607 0.133596 0.863790 Al\n0.140393 0.366404 0.363790 Al\n0.640393 0.133596 0.636210 Al\n0.000000 0.011164 0.250000 Fe\n0.500000 0.488836 0.750000 Fe\n0.000000 0.988836 0.750000 Fe\n0.500000 0.511164 0.250000 Fe\n0.162794 0.671170 0.154440 Si\n0.662794 0.828830 0.845560 Si\n0.837206 0.671170 0.345560 Si\n0.337206 0.828830 0.654440 Si\n0.837206 0.328830 0.845560 Si\n0.337206 0.171170 0.154440 Si\n0.162794 0.328830 0.654440 Si\n0.662794 0.171170 0.345560 Si\n",
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{
"id": "mp-27576",
"created_at": "2022-09-04T14:47:09.641703Z",
"structure_string": "Sc12 Ge6 O30\n1.0\n5.296303 5.511924 0.000000\n-5.296303 5.511924 0.000000\n0.000000 0.648264 10.745241\nSc Ge O\n12 6 30\ndirect\n0.006000 0.304049 0.061559 Sc\n0.695951 0.994000 0.438441 Sc\n0.994000 0.695951 0.938441 Sc\n0.304049 0.006000 0.561559 Sc\n0.348279 0.630000 0.429424 Sc\n0.370000 0.651721 0.070576 Sc\n0.651721 0.370000 0.570576 Sc\n0.630000 0.348279 0.929424 Sc\n0.007150 0.639286 0.245394 Sc\n0.360714 0.992850 0.254606 Sc\n0.992850 0.360714 0.754606 Sc\n0.639286 0.007150 0.745394 Sc\n0.643468 0.356532 0.250000 Ge\n0.356532 0.643468 0.750000 Ge\n0.061134 0.274361 0.456158 Ge\n0.725639 0.938866 0.043842 Ge\n0.938866 0.725639 0.543842 Ge\n0.274361 0.061134 0.956158 Ge\n0.125155 0.481639 0.395896 O\n0.518361 0.874845 0.104104 O\n0.874845 0.518361 0.604104 O\n0.481639 0.125155 0.895896 O\n0.869217 0.777976 0.387870 O\n0.222024 0.130783 0.112130 O\n0.130783 0.222024 0.612130 O\n0.777976 0.869217 0.887870 O\n0.889714 0.801111 0.113457 O\n0.198889 0.110286 0.386543 O\n0.110286 0.198889 0.886543 O\n0.801111 0.889714 0.613457 O\n0.130455 0.536725 0.075392 O\n0.463275 0.869545 0.424608 O\n0.869545 0.463275 0.924608 O\n0.536725 0.130455 0.575392 O\n0.867600 0.406063 0.219439 O\n0.593937 0.132400 0.280561 O\n0.224940 0.838127 0.953902 O\n0.161873 0.775060 0.546098 O\n0.775060 0.161873 0.046098 O\n0.838127 0.224940 0.453902 O\n0.737572 0.262428 0.750000 O\n0.262428 0.737572 0.250000 O\n0.464317 0.559860 0.885518 O\n0.440140 0.535683 0.614482 O\n0.535683 0.440140 0.114482 O\n0.559860 0.464317 0.385518 O\n0.406063 0.867600 0.719439 O\n0.132400 0.593937 0.780561 O\n",
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{
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{
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{
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"structure_string": "Li1 Ta2 Te4 Br10 O1\n1.0\n7.699145 -0.095168 -0.457800\n2.517350 8.512653 -0.288158\n0.028169 1.031282 9.999103\nLi Ta Te Br O\n1 2 4 10 1\ndirect\n0.802098 0.098344 0.194904 Li\n0.478652 0.372393 0.366277 Ta\n0.518017 0.637218 0.641937 Ta\n0.898481 0.817615 0.999461 Te\n0.081445 0.188141 0.987966 Te\n0.175865 0.902343 0.142550 Te\n0.810249 0.103372 0.845620 Te\n0.464171 0.167651 0.172454 Br\n0.609261 0.519756 0.193287 Br\n0.163195 0.535172 0.279835 Br\n0.804934 0.192198 0.426022 Br\n0.676935 0.781667 0.491903 Br\n0.353107 0.199860 0.513604 Br\n0.210195 0.807320 0.570110 Br\n0.840056 0.456334 0.726754 Br\n0.396978 0.474116 0.806510 Br\n0.538185 0.832287 0.826259 Br\n0.503178 0.499924 0.502042 O\n",
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{
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"structure_string": "Tb1 Nb1 Ru2\n1.0\n0.000000 3.287692 3.287692\n3.287692 0.000000 3.287692\n3.287692 3.287692 0.000000\nTb Nb Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tb\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
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