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{
"id": "mp-626229",
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"structure_string": "H16 S4 O20\n1.0\n7.032318 0.000000 0.000000\n0.589224 7.019200 0.000000\n1.242239 0.383246 8.100564\nH S O\n16 4 20\ndirect\n0.093363 0.130696 0.563764 H\n0.589564 0.676005 0.905421 H\n0.521899 0.939820 0.503937 H\n0.406222 0.311596 0.089781 H\n0.912986 0.310176 0.086007 H\n0.792426 0.383732 0.274762 H\n0.759731 0.165650 0.206568 H\n0.247822 0.889991 0.227265 H\n0.337594 0.665335 0.229059 H\n0.367791 0.782838 0.382041 H\n0.238832 0.830976 0.797105 H\n0.077417 0.691404 0.914917 H\n0.207362 0.613934 0.730597 H\n0.727100 0.130873 0.786589 H\n0.699078 0.368357 0.715636 H\n0.625298 0.199711 0.614479 H\n0.323231 0.301966 0.449168 S\n0.760853 0.839327 0.033292 S\n0.709078 0.680153 0.549669 S\n0.225645 0.160181 0.963410 S\n0.152970 0.164063 0.450681 O\n0.920566 0.689692 0.043635 O\n0.845157 0.821881 0.544182 O\n0.068780 0.311883 0.950423 O\n0.495200 0.174195 0.479953 O\n0.573897 0.730823 0.018047 O\n0.503208 0.799133 0.521446 O\n0.415130 0.262293 0.975462 O\n0.265735 0.440036 0.575112 O\n0.803787 0.959805 0.882661 O\n0.743235 0.538481 0.424393 O\n0.179220 0.040303 0.113590 O\n0.347122 0.383635 0.279598 O\n0.703969 0.941318 0.183836 O\n0.657161 0.583502 0.716885 O\n0.276223 0.056182 0.811466 O\n0.791885 0.302051 0.178945 O\n0.275655 0.767977 0.300269 O\n0.205750 0.694817 0.825997 O\n0.723926 0.226713 0.687626 O\n",
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{
"id": "mp-1058499",
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{
"id": "mp-1113243",
"created_at": "2022-09-04T14:48:10.009385Z",
"structure_string": "Cs2 Ag1 Mo1 Br6\n1.0\n0.000000 5.527680 5.527680\n5.527680 0.000000 5.527680\n5.527680 5.527680 0.000000\nCs Ag Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.761694 0.238306 0.238306 Br\n0.238306 0.238306 0.761694 Br\n0.238306 0.761694 0.761694 Br\n0.238306 0.761694 0.238306 Br\n0.761694 0.238306 0.761694 Br\n0.761694 0.761694 0.238306 Br\n",
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"volume": 337.7992464350577,
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"formula_full": "Cs2 Ag1 Mo1 Br6",
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"energy": -38.63179109,
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{
"id": "mp-776424",
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"structure_string": "Na8 Li4 Cu4 P8 O28\n1.0\n13.592516 0.000000 0.000000\n0.000000 5.379247 0.000000\n0.000000 5.255491 8.978331\nNa Li Cu P O\n8 4 4 8 28\ndirect\n0.612609 0.576291 0.151835 Na\n0.207734 0.096161 0.147573 Na\n0.707734 0.903839 0.352427 Na\n0.112609 0.423709 0.348165 Na\n0.887391 0.576291 0.651835 Na\n0.292266 0.096161 0.647573 Na\n0.792266 0.903839 0.852427 Na\n0.387391 0.423709 0.848165 Na\n0.620378 0.258713 0.999432 Li\n0.120378 0.741287 0.500568 Li\n0.879622 0.258713 0.499432 Li\n0.379622 0.741287 0.000568 Li\n0.836304 0.567126 0.222479 Cu\n0.336304 0.432874 0.277521 Cu\n0.663696 0.567126 0.722479 Cu\n0.163696 0.432874 0.777521 Cu\n0.819046 0.232104 0.043673 P\n0.456239 0.999618 0.208056 P\n0.956239 0.000382 0.291944 P\n0.319046 0.767896 0.456327 P\n0.680954 0.232104 0.543673 P\n0.043761 0.999618 0.708056 P\n0.543761 0.000382 0.791944 P\n0.180954 0.767896 0.956327 P\n0.929694 0.149280 0.114995 O\n0.769275 0.953226 0.066764 O\n0.761048 0.343358 0.131791 O\n0.168419 0.544720 0.120245 O\n0.384606 0.254254 0.120842 O\n0.443851 0.762797 0.164972 O\n0.563114 0.095759 0.194978 O\n0.063114 0.904241 0.305022 O\n0.943851 0.237203 0.335028 O\n0.884606 0.745746 0.379158 O\n0.261048 0.656642 0.368209 O\n0.668419 0.455280 0.379755 O\n0.269275 0.046774 0.433236 O\n0.429694 0.850720 0.385005 O\n0.570306 0.149280 0.614995 O\n0.730725 0.953226 0.566764 O\n0.331581 0.544720 0.620245 O\n0.738952 0.343358 0.631791 O\n0.115394 0.254254 0.620842 O\n0.056149 0.762797 0.664972 O\n0.936886 0.095759 0.694978 O\n0.436886 0.904241 0.805022 O\n0.556149 0.237203 0.835028 O\n0.615394 0.745746 0.879158 O\n0.831581 0.455280 0.879755 O\n0.238952 0.656642 0.868209 O\n0.230725 0.046774 0.933236 O\n0.070306 0.850720 0.885005 O\n",
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"formula_full": "Na8 Li4 Cu4 P8 O28",
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{
"id": "mp-768561",
"created_at": "2022-09-04T14:48:09.971742Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.361539 0.000000 0.000000\n4.157586 7.340152 0.000000\n4.083821 2.479593 7.920026\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.067973 0.330057 0.859333 Li\n0.444027 0.747689 0.625564 Li\n0.533511 0.262736 0.405459 Li\n0.259319 0.924785 0.142199 Li\n0.703179 0.256811 0.085714 Li\n0.945869 0.691869 0.114644 Li\n0.858115 0.848347 0.437572 Mn\n0.134988 0.144084 0.567994 Mn\n0.348070 0.343194 0.965150 V\n0.663334 0.663367 0.028161 V\n0.734623 0.462982 0.751586 P\n0.050193 0.735840 0.755303 P\n0.453008 0.050000 0.762683 P\n0.548642 0.952851 0.241937 P\n0.945873 0.265435 0.242695 P\n0.273073 0.530564 0.242589 P\n0.784762 0.480730 0.891197 O\n0.870324 0.265627 0.737523 O\n0.518168 0.481307 0.821773 O\n0.164499 0.515729 0.831118 O\n0.856678 0.781501 0.902990 O\n0.497198 0.841404 0.892120 O\n0.736381 0.632461 0.591966 O\n0.162426 0.849049 0.730112 O\n0.014833 0.765004 0.597344 O\n0.469598 0.172833 0.837953 O\n0.245368 0.127037 0.762155 O\n0.596445 0.044494 0.590744 O\n0.410108 0.958488 0.416771 O\n0.759181 0.866193 0.241286 O\n0.512998 0.837001 0.172607 O\n0.976885 0.229989 0.403420 O\n0.826210 0.158876 0.262531 O\n0.258816 0.373941 0.411405 O\n0.514316 0.162978 0.116777 O\n0.139766 0.209572 0.100387 O\n0.830298 0.486292 0.168869 O\n0.490806 0.506662 0.169558 O\n0.144167 0.735310 0.249517 O\n0.214757 0.500780 0.116466 O\n",
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"formula_full": "Li6 Mn2 V2 P6 O24",
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{
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{
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"structure_string": "Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
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"structure_string": "Sr12 Os8 N16\n1.0\n6.311880 0.000000 0.000000\n0.000000 10.423461 0.000000\n0.000000 0.000000 9.179390\nSr Os N\n12 8 16\ndirect\n0.629762 0.155066 0.422966 Sr\n0.870238 0.844934 0.422966 Sr\n0.629762 0.344934 0.077034 Sr\n0.870238 0.655066 0.077034 Sr\n0.370238 0.844934 0.577034 Sr\n0.129762 0.155066 0.577034 Sr\n0.370238 0.655066 0.922966 Sr\n0.129762 0.344934 0.922966 Sr\n0.750000 0.500000 0.407065 Sr\n0.750000 0.000000 0.092935 Sr\n0.250000 0.500000 0.592935 Sr\n0.250000 0.000000 0.907065 Sr\n0.750000 0.500000 0.746674 Os\n0.750000 0.000000 0.753326 Os\n0.250000 0.500000 0.253326 Os\n0.250000 0.000000 0.246674 Os\n0.696113 0.250000 0.750000 Os\n0.803887 0.750000 0.750000 Os\n0.303887 0.750000 0.250000 Os\n0.196113 0.250000 0.250000 Os\n0.921491 0.358186 0.656104 N\n0.578509 0.641814 0.656104 N\n0.921491 0.141814 0.843896 N\n0.578509 0.858186 0.843896 N\n0.078509 0.641814 0.343896 N\n0.421491 0.358186 0.343896 N\n0.078509 0.858186 0.156104 N\n0.421491 0.141814 0.156104 N\n0.484469 0.398435 0.808254 N\n0.015531 0.601565 0.808254 N\n0.484469 0.101565 0.691746 N\n0.015531 0.898435 0.691746 N\n0.515531 0.601565 0.191746 N\n0.984469 0.398435 0.191746 N\n0.515531 0.898435 0.308254 N\n0.984469 0.101565 0.308254 N\n",
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"formula_full": "Sr12 Os8 N16",
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{
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"structure_string": "Li5 Ni3 Sb2 O10\n1.0\n5.239860 0.000000 0.000000\n-1.096730 5.249298 0.000000\n-1.749478 -2.719328 7.232849\nLi Ni Sb O\n5 3 2 10\ndirect\n0.842801 0.499648 0.384500 Li\n0.611188 0.492237 0.808188 Li\n0.000000 0.000000 0.500000 Li\n0.388812 0.507763 0.191812 Li\n0.157199 0.500352 0.615500 Li\n0.000000 0.500000 0.000000 Ni\n0.807306 0.996938 0.897791 Ni\n0.192694 0.003062 0.102209 Ni\n0.404732 0.003120 0.702346 Sb\n0.595268 0.996880 0.297654 Sb\n0.217410 0.223754 0.835360 O\n0.409191 0.766430 0.938636 O\n0.580311 0.778515 0.552900 O\n0.982049 0.234931 0.245739 O\n0.784795 0.235953 0.656233 O\n0.215205 0.764047 0.343767 O\n0.017951 0.765069 0.754261 O\n0.419689 0.221485 0.447100 O\n0.590809 0.233570 0.061364 O\n0.782590 0.776246 0.164640 O\n",
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{
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"structure_string": "Na1 Bi1 S2\n1.0\n4.088437 0.000000 0.000000\n0.000000 4.088437 0.000000\n0.000000 0.000000 5.567726\nNa Bi S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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{
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"formula_full": "Li8 Ti4 V4 O16",
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}