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{
"id": "mp-1173748",
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"structure_string": "Na8 Al6 Si6 N2 O30\n1.0\n9.133547 0.000000 0.000000\n-0.039067 9.231240 0.000000\n-0.005360 -0.028948 9.236788\nNa Al Si N O\n8 6 6 2 30\ndirect\n0.213618 0.789704 0.208111 Na\n0.788983 0.207785 0.207885 Na\n0.222530 0.219932 0.218989 Na\n0.778639 0.781479 0.216468 Na\n0.205829 0.798406 0.796116 Na\n0.793386 0.205581 0.790025 Na\n0.208203 0.185968 0.792042 Na\n0.791505 0.820379 0.794300 Na\n0.246696 0.495961 0.004845 Al\n0.750540 0.501811 0.002665 Al\n0.500046 0.000768 0.250822 Al\n0.999296 0.748527 0.496560 Al\n0.999461 0.253470 0.499652 Al\n0.498224 0.998773 0.749802 Al\n0.503079 0.249003 0.999603 Si\n0.495715 0.749812 0.000814 Si\n0.999253 0.499360 0.251106 Si\n0.751182 0.002162 0.499521 Si\n0.247273 0.998699 0.498463 Si\n0.999452 0.504040 0.750494 Si\n0.003706 0.997662 0.011348 N\n0.499244 0.499709 0.500914 N\n0.360008 0.347729 0.038655 O\n0.640592 0.652217 0.037904 O\n0.145251 0.544312 0.158419 O\n0.856909 0.453251 0.152504 O\n0.539187 0.152097 0.143378 O\n0.461799 0.847744 0.144803 O\n0.345102 0.039751 0.355568 O\n0.656177 0.962491 0.354102 O\n0.042081 0.356990 0.346973 O\n0.953188 0.641881 0.346057 O\n0.154553 0.853051 0.455567 O\n0.842630 0.149710 0.461905 O\n0.146988 0.139273 0.539381 O\n0.852340 0.862379 0.538774 O\n0.035869 0.646305 0.651575 O\n0.964365 0.358158 0.654699 O\n0.655411 0.033419 0.646451 O\n0.341354 0.963872 0.645656 O\n0.462471 0.151746 0.857007 O\n0.534526 0.846843 0.857924 O\n0.179337 0.472141 0.810255 O\n0.816298 0.532214 0.810182 O\n0.080947 0.378552 0.912381 O\n0.924956 0.621620 0.906646 O\n0.128719 0.995529 0.935968 O\n0.882690 0.014537 0.930983 O\n0.992987 0.874496 0.101933 O\n0.009247 0.099952 0.125630 O\n0.346267 0.656891 0.967496 O\n0.651889 0.341854 0.963075 O\n",
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"formula_full": "Na8 Al6 Si6 N2 O30",
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{
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"created_at": "2022-09-04T14:47:07.932028Z",
"structure_string": "U4 C8 Se8 N8 O44\n1.0\n8.699810 0.000000 0.000000\n0.000000 7.897119 0.000000\n-7.398377 0.000000 22.312400\nU C Se N O\n4 8 8 8 44\ndirect\n0.250592 0.603169 0.872903 U\n0.749408 0.103169 0.627097 U\n0.749408 0.396831 0.127097 U\n0.250592 0.896831 0.372903 U\n0.607550 0.249537 0.798688 C\n0.392450 0.749537 0.701312 C\n0.392450 0.750463 0.201312 C\n0.607550 0.250463 0.298688 C\n0.871095 0.788655 0.978686 C\n0.128905 0.288655 0.521314 C\n0.128905 0.211345 0.021314 C\n0.871095 0.711345 0.478686 C\n0.877303 0.768813 0.756486 Se\n0.122697 0.268813 0.743514 Se\n0.122697 0.231187 0.243514 Se\n0.877303 0.731187 0.256486 Se\n0.441499 0.721061 0.039322 Se\n0.558501 0.221061 0.460678 Se\n0.558501 0.278939 0.960678 Se\n0.441499 0.778939 0.539322 Se\n0.763974 0.765612 0.934080 N\n0.236026 0.265612 0.565920 N\n0.236026 0.234388 0.065920 N\n0.763974 0.734388 0.434080 N\n0.748192 0.264676 0.821249 N\n0.251808 0.764676 0.678751 N\n0.251808 0.735324 0.178751 N\n0.748192 0.235324 0.321249 N\n0.079581 0.729730 0.783254 O\n0.920419 0.229730 0.716746 O\n0.920419 0.270270 0.216746 O\n0.079581 0.770270 0.283254 O\n0.416176 0.623253 0.842960 O\n0.583824 0.123253 0.657040 O\n0.583824 0.376747 0.157040 O\n0.416176 0.876747 0.342960 O\n0.406715 0.724308 0.964773 O\n0.593285 0.224308 0.535227 O\n0.593285 0.275692 0.035227 O\n0.406715 0.775692 0.464773 O\n0.434508 0.915425 0.066499 O\n0.565492 0.415425 0.433501 O\n0.565492 0.084575 0.933501 O\n0.434508 0.584575 0.566499 O\n0.850003 0.866070 0.691273 O\n0.149997 0.366070 0.808727 O\n0.149997 0.133930 0.308727 O\n0.850003 0.633930 0.191273 O\n0.081982 0.584959 0.901239 O\n0.918018 0.084959 0.598761 O\n0.918018 0.415041 0.098761 O\n0.081982 0.915041 0.401239 O\n0.374611 0.365670 0.932424 O\n0.625389 0.865670 0.567576 O\n0.625389 0.634330 0.067576 O\n0.374611 0.134330 0.432424 O\n0.770821 0.588118 0.747730 O\n0.229179 0.088118 0.752270 O\n0.229179 0.411882 0.252270 O\n0.770821 0.911882 0.247730 O\n0.295489 0.621809 0.059344 O\n0.704511 0.121809 0.440656 O\n0.704511 0.378191 0.940656 O\n0.295489 0.878191 0.559344 O\n0.813609 0.878816 0.805676 O\n0.186391 0.378816 0.694324 O\n0.186391 0.121184 0.194324 O\n0.813609 0.621184 0.305676 O\n0.239358 0.900320 0.869899 O\n0.760642 0.400320 0.630101 O\n0.760642 0.099680 0.130101 O\n0.239358 0.599680 0.369899 O\n",
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"formula_full": "U4 C8 Se8 N8 O44",
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"spacegroup": 14
},
{
"id": "mp-1187191",
"created_at": "2022-09-04T14:47:12.828650Z",
"structure_string": "Sr1 Sc1 O3\n1.0\n4.139926 0.000000 0.000000\n0.000000 4.139926 0.000000\n0.000000 0.000000 4.139926\nSr Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Sr1 Sc1 O3",
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{
"id": "mp-10374",
"created_at": "2022-09-04T14:47:14.419512Z",
"structure_string": "Cr3 Pt1 N1\n1.0\n3.840440 0.000000 0.000000\n0.000000 3.840440 0.000000\n0.000000 0.000000 3.840440\nCr Pt N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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{
"id": "mp-1075638",
"created_at": "2022-09-04T14:47:09.033264Z",
"structure_string": "Mg10 Si18\n1.0\n-7.390444 0.000000 0.000000\n3.680469 6.496417 0.000000\n-0.821008 -1.567928 -10.291056\nMg Si\n10 18\ndirect\n0.501557 0.483312 0.725351 Mg\n0.791305 0.947640 0.354112 Mg\n0.589354 0.182485 0.520837 Mg\n0.275157 0.753234 0.391105 Mg\n0.892033 0.665042 0.572113 Mg\n0.103831 0.367234 0.513496 Mg\n0.576961 0.586356 0.110001 Mg\n0.133259 0.324708 0.914861 Mg\n0.238870 0.045468 0.074280 Mg\n0.530682 0.885897 0.910709 Mg\n0.155541 0.335503 0.226272 Si\n0.965897 0.605473 0.971995 Si\n0.239513 0.117784 0.348341 Si\n0.848396 0.055438 0.685642 Si\n0.524218 0.043844 0.237262 Si\n0.232106 0.959409 0.780327 Si\n0.729126 0.289969 0.083968 Si\n0.227647 0.632278 0.733144 Si\n0.968972 0.717521 0.235313 Si\n0.176969 0.077984 0.592772 Si\n0.888093 0.852943 0.871357 Si\n0.855616 0.043635 0.087401 Si\n0.544510 0.519447 0.391004 Si\n0.830259 0.380414 0.749460 Si\n0.521147 0.254598 0.897249 Si\n0.259332 0.685926 0.112634 Si\n0.530162 0.779247 0.571998 Si\n0.869383 0.406981 0.336763 Si\n",
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{
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"structure_string": "Hf1 Zn1 Ir2\n1.0\n0.000000 3.159389 3.159389\n3.159389 0.000000 3.159389\n3.159389 3.159389 0.000000\nHf Zn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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"structure_string": "Al1 Cu3 Sb4 O12\n1.0\n-3.935355 3.935355 3.935355\n3.935355 -3.935355 3.935355\n3.935355 3.935355 -3.935355\nAl Cu Sb O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.301919 0.128127 0.826208 O\n0.698081 0.871873 0.173792 O\n0.698081 0.524289 0.826208 O\n0.475711 0.173792 0.301919 O\n0.173792 0.301919 0.475711 O\n0.826208 0.301919 0.128127 O\n0.871873 0.173792 0.698081 O\n0.826208 0.698081 0.524289 O\n0.301919 0.475711 0.173792 O\n0.524289 0.826208 0.698081 O\n0.173792 0.698081 0.871873 O\n0.128127 0.826208 0.301919 O\n",
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"formula_full": "Al1 Cu3 Sb4 O12",
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{
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"structure_string": "Dy22 In12 Si8\n1.0\n-5.749137 5.749137 8.092250\n5.749137 -5.749137 8.092250\n5.749137 5.749137 -8.092250\nDy In Si\n22 12 8\ndirect\n0.684225 0.934142 0.249917 Dy\n0.684225 0.434308 0.750083 Dy\n0.934142 0.684225 0.249917 Dy\n0.434308 0.684225 0.750083 Dy\n0.315775 0.065858 0.750083 Dy\n0.315775 0.565692 0.249917 Dy\n0.065858 0.315775 0.750083 Dy\n0.565692 0.315775 0.249917 Dy\n0.898792 0.246399 0.347607 Dy\n0.898792 0.551184 0.652393 Dy\n0.246399 0.898792 0.347607 Dy\n0.551184 0.898792 0.652393 Dy\n0.101208 0.753601 0.652393 Dy\n0.101208 0.448816 0.347607 Dy\n0.753601 0.101208 0.652393 Dy\n0.448816 0.101208 0.347607 Dy\n0.332363 0.332363 0.664725 Dy\n0.667637 0.667637 0.335275 Dy\n0.332363 0.667637 0.000000 Dy\n0.667637 0.332363 0.000000 Dy\n0.831360 0.831360 0.000000 Dy\n0.168640 0.168640 0.000000 Dy\n0.034499 0.034499 0.411224 In\n0.623276 0.623276 0.588776 In\n0.034499 0.623276 0.000000 In\n0.623276 0.034499 0.000000 In\n0.965501 0.965501 0.588776 In\n0.376724 0.376724 0.411224 In\n0.965501 0.376724 0.000000 In\n0.376724 0.965501 0.000000 In\n0.129185 0.129185 0.258371 In\n0.870815 0.870815 0.741629 In\n0.129185 0.870815 0.000000 In\n0.870815 0.129185 0.000000 In\n0.153105 0.500000 0.653105 Si\n0.846895 0.500000 0.346895 Si\n0.500000 0.846895 0.346895 Si\n0.500000 0.153105 0.653105 Si\n0.615534 0.615534 0.000000 Si\n0.384466 0.384466 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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{
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}