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{
"id": "mp-559560",
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"structure_string": "Nd8 Ti12 Cl8 O32\n1.0\n5.055817 0.000000 0.000000\n0.000000 11.669707 0.000000\n0.000000 0.000000 14.983656\nNd Ti Cl O\n8 12 8 32\ndirect\n0.021706 0.362794 0.336569 Nd\n0.478294 0.362794 0.663431 Nd\n0.478294 0.862794 0.836569 Nd\n0.521706 0.137206 0.163431 Nd\n0.978294 0.137206 0.836569 Nd\n0.978294 0.637206 0.663431 Nd\n0.021706 0.862794 0.163431 Nd\n0.521706 0.637206 0.336569 Nd\n0.750000 0.092277 0.500000 Ti\n0.871841 0.422863 0.837721 Ti\n0.128159 0.577137 0.162279 Ti\n0.128159 0.077137 0.337721 Ti\n0.250000 0.407723 0.000000 Ti\n0.371841 0.077137 0.662279 Ti\n0.250000 0.907723 0.500000 Ti\n0.371841 0.577137 0.837721 Ti\n0.628159 0.922863 0.337721 Ti\n0.628159 0.422863 0.162279 Ti\n0.750000 0.592277 0.000000 Ti\n0.871841 0.922863 0.662279 Ti\n0.017797 0.601460 0.422094 Cl\n0.482203 0.101460 0.922094 Cl\n0.982203 0.898540 0.922094 Cl\n0.482203 0.601460 0.577906 Cl\n0.017797 0.101460 0.077906 Cl\n0.517797 0.898540 0.077906 Cl\n0.517797 0.398540 0.422094 Cl\n0.982203 0.398540 0.577906 Cl\n0.062383 0.045167 0.576549 O\n0.062383 0.545167 0.923451 O\n0.574463 0.683049 0.918791 O\n0.425537 0.816951 0.418791 O\n0.326805 0.468860 0.236980 O\n0.437617 0.045167 0.423451 O\n0.750730 0.798440 0.720803 O\n0.074463 0.316951 0.918791 O\n0.249270 0.701560 0.220803 O\n0.173195 0.968860 0.736980 O\n0.250730 0.701560 0.779197 O\n0.249270 0.201560 0.279197 O\n0.173195 0.468860 0.763020 O\n0.826805 0.031140 0.263020 O\n0.749270 0.298440 0.220803 O\n0.437617 0.545167 0.076549 O\n0.562383 0.954833 0.576549 O\n0.937617 0.954833 0.423451 O\n0.925537 0.183049 0.418791 O\n0.673195 0.031140 0.736980 O\n0.826805 0.531140 0.236980 O\n0.562383 0.454833 0.923451 O\n0.749270 0.798440 0.279197 O\n0.925537 0.683049 0.081209 O\n0.425537 0.316951 0.081209 O\n0.750730 0.298440 0.779197 O\n0.673195 0.531140 0.763020 O\n0.937617 0.454833 0.076549 O\n0.250730 0.201560 0.720803 O\n0.326805 0.968860 0.263020 O\n0.574463 0.183049 0.581209 O\n0.074463 0.816951 0.581209 O\n",
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"formula_full": "Nd8 Ti12 Cl8 O32",
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"spacegroup": 60
},
{
"id": "mp-557484",
"created_at": "2022-09-04T14:41:28.655753Z",
"structure_string": "Bi2 S8 N6 Cl8\n1.0\n-7.624056 0.000000 0.000000\n-0.787200 -9.606582 0.000000\n2.267252 3.830042 8.852902\nBi S N Cl\n2 8 6 8\ndirect\n0.746374 0.880800 0.960632 Bi\n0.253626 0.119200 0.039368 Bi\n0.256737 0.093492 0.535057 S\n0.521243 0.343584 0.651179 S\n0.806867 0.464122 0.288195 S\n0.743263 0.906508 0.464943 S\n0.002619 0.355109 0.628564 S\n0.193133 0.535878 0.711805 S\n0.997381 0.644891 0.371436 S\n0.478757 0.656416 0.348821 S\n0.554799 0.824869 0.422217 N\n0.910446 0.805608 0.432992 N\n0.385960 0.473755 0.695655 N\n0.614040 0.526245 0.304345 N\n0.445201 0.175131 0.577783 N\n0.089554 0.194392 0.567008 N\n0.086290 0.889326 0.115738 Cl\n0.616665 0.110115 0.200107 Cl\n0.343561 0.312338 0.951530 Cl\n0.383335 0.889885 0.799893 Cl\n0.913710 0.110674 0.884262 Cl\n0.187765 0.341196 0.295558 Cl\n0.656439 0.687662 0.048470 Cl\n0.812235 0.658804 0.704442 Cl\n",
"nsites": 24,
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"elements": [
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},
{
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"created_at": "2022-09-04T14:41:30.177636Z",
"structure_string": "Sr4 Zn6 Au12\n1.0\n7.806930 -4.283252 0.000000\n7.806930 4.283252 0.000000\n5.456935 0.000000 7.036779\nSr Zn Au\n4 6 12\ndirect\n0.907594 0.907594 0.907594 Sr\n0.407594 0.407594 0.407594 Sr\n0.092406 0.092406 0.092406 Sr\n0.592406 0.592406 0.592406 Sr\n0.557300 0.750000 0.942700 Zn\n0.942700 0.557300 0.750000 Zn\n0.750000 0.942700 0.557300 Zn\n0.442700 0.250000 0.057300 Zn\n0.057300 0.442700 0.250000 Zn\n0.250000 0.057300 0.442700 Zn\n0.479285 0.863353 0.207057 Au\n0.207057 0.479285 0.863353 Au\n0.863353 0.207057 0.479285 Au\n0.707057 0.363353 0.979285 Au\n0.979285 0.707057 0.363353 Au\n0.363353 0.979285 0.707057 Au\n0.520715 0.136647 0.792943 Au\n0.792943 0.520715 0.136647 Au\n0.136647 0.792943 0.520715 Au\n0.292943 0.636647 0.020715 Au\n0.020715 0.292943 0.636647 Au\n0.636647 0.020715 0.292943 Au\n",
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},
{
"id": "mp-999450",
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"structure_string": "Na1 Sm1 Se2\n1.0\n7.084542 -2.116808 0.000000\n7.084542 2.116808 0.000000\n6.452056 0.000000 3.611452\nNa Sm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sm\n0.755057 0.755057 0.755057 Se\n0.244943 0.244943 0.244943 Se\n",
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{
"id": "mp-650124",
"created_at": "2022-09-04T14:41:28.669839Z",
"structure_string": "K4 Rb4 Re12 S26\n1.0\n8.334915 4.997360 0.000000\n-8.334915 4.997360 0.000000\n0.000000 2.513452 13.572525\nK Rb Re S\n4 4 12 26\ndirect\n0.685419 0.729473 0.208789 K\n0.729473 0.685419 0.708789 K\n0.270527 0.314581 0.291211 K\n0.314581 0.270527 0.791211 K\n0.645323 0.880930 0.911226 Rb\n0.119070 0.354677 0.588774 Rb\n0.880930 0.645323 0.411226 Rb\n0.354677 0.119070 0.088774 Rb\n0.581970 0.155447 0.579348 Re\n0.844553 0.418030 0.920652 Re\n0.992518 0.303647 0.023820 Re\n0.696353 0.007482 0.476180 Re\n0.156990 0.560192 0.890014 Re\n0.439808 0.843010 0.609986 Re\n0.007482 0.696353 0.976180 Re\n0.303647 0.992518 0.523820 Re\n0.155447 0.581970 0.079348 Re\n0.560192 0.156990 0.390014 Re\n0.418030 0.844553 0.420652 Re\n0.843010 0.439808 0.109986 Re\n0.299725 0.992354 0.348095 S\n0.719463 0.550961 0.004760 S\n0.007646 0.700275 0.151905 S\n0.628856 0.371144 0.250000 S\n0.659098 0.007717 0.305083 S\n0.992283 0.340902 0.194917 S\n0.368021 0.716006 0.173985 S\n0.449039 0.280537 0.495240 S\n0.283994 0.631979 0.326015 S\n0.716006 0.368021 0.673985 S\n0.709456 0.189573 0.050396 S\n0.700275 0.007646 0.651905 S\n0.340902 0.992283 0.694917 S\n0.992354 0.299725 0.848095 S\n0.290544 0.810427 0.949604 S\n0.031205 0.963002 0.935065 S\n0.631979 0.283994 0.826015 S\n0.810427 0.290544 0.449604 S\n0.280537 0.449039 0.995240 S\n0.968795 0.036998 0.064935 S\n0.371144 0.628856 0.750000 S\n0.036998 0.968795 0.564935 S\n0.007717 0.659098 0.805083 S\n0.963002 0.031205 0.435065 S\n0.550961 0.719463 0.504760 S\n0.189573 0.709456 0.550396 S\n",
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{
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"structure_string": "Ce4 S8\n1.0\n4.036793 0.000000 0.000000\n0.000000 8.009916 0.000000\n0.000000 0.024752 8.046152\nCe S\n4 8\ndirect\n0.717647 0.630300 0.277671 Ce\n0.217647 0.869700 0.722329 Ce\n0.282353 0.369700 0.722329 Ce\n0.782353 0.130300 0.277671 Ce\n0.161336 0.608697 0.002040 S\n0.661336 0.891303 0.997960 S\n0.838664 0.391303 0.997960 S\n0.338664 0.108697 0.002040 S\n0.761026 0.124543 0.636006 S\n0.261026 0.375457 0.363994 S\n0.238974 0.875457 0.363994 S\n0.738974 0.624543 0.636006 S\n",
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{
"id": "mp-1192874",
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"structure_string": "Na4 Ag4 S8 O12\n1.0\n0.000000 6.241314 0.000000\n-0.036344 0.000000 8.572584\n9.067862 0.000000 -2.554368\nNa Ag S O\n4 4 8 12\ndirect\n0.137252 0.170425 0.939876 Na\n0.637252 0.329575 0.060124 Na\n0.862748 0.829575 0.060124 Na\n0.362748 0.670425 0.939876 Na\n0.510877 0.780650 0.444380 Ag\n0.010877 0.719350 0.555620 Ag\n0.489123 0.219350 0.555620 Ag\n0.989123 0.280650 0.444380 Ag\n0.281392 0.540544 0.399503 S\n0.781392 0.959456 0.600497 S\n0.718608 0.459456 0.600497 S\n0.218608 0.040544 0.399503 S\n0.129229 0.509540 0.193890 S\n0.629229 0.990460 0.806110 S\n0.870771 0.490460 0.806110 S\n0.370771 0.009540 0.193890 S\n0.300791 0.466060 0.080226 O\n0.800791 0.033940 0.919774 O\n0.699209 0.533940 0.919774 O\n0.199209 0.966060 0.080226 O\n0.981136 0.369886 0.179152 O\n0.481136 0.130114 0.820848 O\n0.018864 0.630114 0.820848 O\n0.518864 0.869886 0.179152 O\n0.019784 0.660009 0.193863 O\n0.519784 0.839991 0.806137 O\n0.980216 0.339991 0.806137 O\n0.480216 0.160009 0.193863 O\n",
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{
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{
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"structure_string": "Cs2 H2 S4 O14\n1.0\n5.393335 -0.004331 -1.198019\n-2.417869 7.823221 -0.609216\n0.089425 0.008792 8.897968\nCs H S O\n2 2 4 14\ndirect\n0.803851 0.191277 0.863139 Cs\n0.196149 0.808723 0.136861 Cs\n0.181331 0.382113 0.351873 H\n0.818669 0.617887 0.648127 H\n0.521520 0.362631 0.186503 S\n0.478480 0.637369 0.813497 S\n0.843550 0.191581 0.384441 S\n0.156450 0.808419 0.615559 S\n0.612874 0.280588 0.353521 O\n0.387126 0.719412 0.646479 O\n0.843130 0.096590 0.241306 O\n0.156870 0.903410 0.758694 O\n0.800011 0.106490 0.515120 O\n0.199989 0.893510 0.484880 O\n0.092799 0.344275 0.439536 O\n0.907201 0.655725 0.560464 O\n0.359093 0.457145 0.241604 O\n0.640907 0.542855 0.758396 O\n0.758257 0.467447 0.155786 O\n0.241743 0.532553 0.844214 O\n0.380070 0.213659 0.071701 O\n0.619930 0.786341 0.928300 O\n",
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{
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{
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