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{
"id": "mp-774778",
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"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n8.406901 0.000000 0.000000\n-1.944395 8.190001 0.000000\n-3.104442 -3.867692 8.891561\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.485799 0.973892 0.730891 Na\n0.725457 0.737718 0.730478 Na\n0.774105 0.750790 0.271055 Na\n0.056136 0.796537 0.084753 Na\n0.568556 0.309219 0.085542 Na\n0.941516 0.201346 0.921106 Na\n0.240743 0.252197 0.732673 Na\n0.004128 0.491438 0.732025 Na\n0.263148 0.256827 0.270542 Na\n0.509823 0.013997 0.264558 Na\n0.062185 0.814279 0.653504 Ni\n0.429652 0.684354 0.344546 Ni\n0.563327 0.311876 0.653054 Ni\n0.937528 0.192190 0.344820 Ni\n0.194741 0.945914 0.421742 P\n0.690939 0.441039 0.419904 P\n0.300998 0.554000 0.576085 P\n0.808105 0.056853 0.581672 P\n0.237184 0.987443 0.936121 C\n0.263967 0.513030 0.067117 C\n0.733471 0.488034 0.931707 C\n0.766823 0.012502 0.065428 C\n0.683032 0.932126 0.923475 O\n0.915169 0.978670 0.682245 O\n0.837471 0.588067 0.566327 O\n0.433582 0.684464 0.538566 O\n0.065711 0.823123 0.459671 O\n0.659843 0.906595 0.430985 O\n0.278688 0.838512 0.322564 O\n0.579859 0.521257 0.318702 O\n0.758269 0.323493 0.318234 O\n0.717784 0.964521 0.160772 O\n0.213679 0.458448 0.160236 O\n0.403594 0.658624 0.131822 O\n0.910338 0.153229 0.122971 O\n0.811632 0.573141 0.073360 O\n0.180351 0.429916 0.924821 O\n0.094649 0.844618 0.876665 O\n0.592485 0.341163 0.870134 O\n0.789890 0.536802 0.838328 O\n0.290328 0.041181 0.843875 O\n0.224832 0.665443 0.673207 O\n0.414082 0.478552 0.674575 O\n0.727368 0.162226 0.679797 O\n0.342403 0.091902 0.569800 O\n0.935661 0.185681 0.545044 O\n0.558716 0.314394 0.456698 O\n0.157389 0.406374 0.430205 O\n0.088658 0.021915 0.318604 O\n0.319262 0.073297 0.079321 O\n",
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{
"id": "mp-1218681",
"created_at": "2022-09-04T14:48:06.915948Z",
"structure_string": "Sr12 Mn6 Cu3 O27\n1.0\n-7.943848 0.000000 0.000000\n0.029716 9.705644 0.000000\n-0.003138 -4.793419 -8.443021\nSr Mn Cu O\n12 6 3 27\ndirect\n0.499601 0.640610 0.639504 Sr\n0.503638 0.344984 0.993154 Sr\n0.495692 0.994059 0.359640 Sr\n0.241904 0.657698 0.968666 Sr\n0.250769 0.016002 0.684126 Sr\n0.250531 0.305001 0.330798 Sr\n0.750772 0.334219 0.303546 Sr\n0.753785 0.675583 0.014096 Sr\n0.753927 0.972608 0.666487 Sr\n0.999760 0.671996 0.672924 Sr\n0.998148 0.320161 0.993628 Sr\n0.003534 0.992662 0.326492 Sr\n0.163977 0.005212 0.001849 Mn\n0.836131 0.003070 0.001030 Mn\n0.074114 0.336161 0.666554 Mn\n0.925538 0.671036 0.340322 Mn\n0.407590 0.338062 0.668501 Mn\n0.593344 0.670098 0.338456 Mn\n0.741515 0.271671 0.606544 Cu\n0.257878 0.606819 0.272002 Cu\n0.499647 0.936658 0.999754 Cu\n0.999055 0.148320 0.157707 O\n0.998545 0.848595 0.003667 O\n0.002211 0.994511 0.847369 O\n0.275921 0.179365 0.008513 O\n0.308698 0.993929 0.154496 O\n0.308474 0.848015 0.841629 O\n0.693111 0.838744 0.846158 O\n0.725900 0.169477 0.991177 O\n0.687352 0.004530 0.158108 O\n0.242151 0.167075 0.513568 O\n0.242135 0.477081 0.641305 O\n0.242496 0.339870 0.820278 O\n0.757953 0.825969 0.342002 O\n0.758535 0.645035 0.479579 O\n0.756178 0.519966 0.172036 O\n0.067301 0.506992 0.324876 O\n0.070159 0.682361 0.191383 O\n0.036338 0.830393 0.512718 O\n0.965787 0.509378 0.826161 O\n0.930873 0.187476 0.677530 O\n0.931398 0.320887 0.503179 O\n0.451247 0.500580 0.319638 O\n0.446813 0.683254 0.189313 O\n0.478877 0.829851 0.515908 O\n0.521003 0.514423 0.828749 O\n0.550432 0.187359 0.682172 O\n0.549261 0.319197 0.499708 O\n",
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"formula_full": "Sr12 Mn6 Cu3 O27",
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{
"id": "mp-680561",
"created_at": "2022-09-04T14:43:54.763225Z",
"structure_string": "U10 Re6 C16\n1.0\n11.374517 0.000000 0.000000\n0.000000 11.374517 0.000000\n0.000000 0.000000 3.259419\nU Re C\n10 6 16\ndirect\n0.000000 0.500000 0.000000 U\n0.272104 0.543123 0.500000 U\n0.727896 0.456877 0.500000 U\n0.543123 0.727896 0.500000 U\n0.772104 0.956877 0.500000 U\n0.227896 0.043123 0.500000 U\n0.956877 0.227896 0.500000 U\n0.456877 0.272104 0.500000 U\n0.500000 0.000000 0.000000 U\n0.043123 0.772104 0.500000 U\n0.203041 0.296959 0.000000 Re\n0.703041 0.203041 0.000000 Re\n0.296959 0.796959 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.796959 0.703041 0.000000 Re\n0.000000 0.000000 0.000000 Re\n0.347569 0.402642 0.000000 C\n0.616276 0.116276 0.500000 C\n0.902642 0.847569 0.000000 C\n0.653377 0.846623 0.000000 C\n0.346623 0.153377 0.000000 C\n0.116276 0.383724 0.500000 C\n0.152431 0.902642 0.000000 C\n0.846623 0.346623 0.000000 C\n0.652431 0.597358 0.000000 C\n0.597358 0.347569 0.000000 C\n0.883724 0.616276 0.500000 C\n0.847569 0.097358 0.000000 C\n0.383724 0.883724 0.500000 C\n0.153377 0.653377 0.000000 C\n0.097358 0.152431 0.000000 C\n0.402642 0.652431 0.000000 C\n",
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],
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"density": 14.528952480386412,
"density_atomic": 0.07588288905582406,
"volume": 421.70244699643496,
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"formula_full": "U10 Re6 C16",
"formula_reduced": "U5Re3C8",
"formula_anonymous": "A3B5C8",
"energy": -340.98913371,
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},
{
"id": "mp-1333532",
"created_at": "2022-09-04T14:45:23.304902Z",
"structure_string": "Mg6 Mo12 O24\n1.0\n6.263203 0.000000 0.000000\n3.097735 5.633838 0.000000\n0.344225 0.021960 15.227461\nMg Mo O\n6 12 24\ndirect\n0.178964 0.168166 0.042103 Mg\n0.822165 0.838348 0.332140 Mg\n0.159783 0.668491 0.166419 Mg\n0.172223 0.162693 0.662694 Mg\n0.497987 0.003108 0.502543 Mg\n0.849026 0.324182 0.833387 Mg\n0.661956 0.164330 0.169477 Mo\n0.501166 0.497762 0.394175 Mo\n0.504836 0.502985 0.005667 Mo\n0.657673 0.673396 0.165818 Mo\n0.993896 0.505728 0.502714 Mo\n0.848825 0.823419 0.743362 Mo\n0.990897 0.002493 0.499036 Mo\n0.345751 0.823593 0.832755 Mo\n0.124546 0.189271 0.290382 Mo\n0.344211 0.322723 0.831089 Mo\n0.493055 0.513116 0.615210 Mo\n0.827408 0.849410 0.935855 Mo\n0.339474 0.348442 0.090776 O\n0.488868 0.502038 0.240181 O\n0.345733 0.820671 0.090535 O\n0.820808 0.351784 0.091717 O\n0.672320 0.685186 0.419247 O\n0.524639 0.964389 0.246756 O\n0.822117 0.834019 0.569593 O\n0.960710 0.538820 0.245846 O\n0.673266 0.143832 0.413634 O\n0.831329 0.838170 0.093108 O\n0.132950 0.685321 0.412723 O\n0.989787 0.982154 0.246103 O\n0.022991 0.012201 0.752716 O\n0.871935 0.300500 0.582626 O\n0.301300 0.875070 0.578410 O\n0.023362 0.465506 0.749854 O\n0.179043 0.150496 0.908788 O\n0.172333 0.175794 0.422852 O\n0.481390 0.006933 0.745324 O\n0.321851 0.320266 0.576512 O\n0.212995 0.626684 0.914215 O\n0.648019 0.214677 0.917702 O\n0.516945 0.495129 0.755834 O\n0.671465 0.628704 0.910121 O\n",
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"elements": [
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],
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"density": 5.195330378747429,
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"volume": 537.314225464597,
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"formula_full": "Mg6 Mo12 O24",
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{
"id": "mp-676461",
"created_at": "2022-09-04T14:45:12.645435Z",
"structure_string": "Ca4 La4 Mg2 Ti6 O24\n1.0\n5.518216 0.000000 0.000000\n0.000000 5.580680 0.000000\n0.000000 0.000040 15.598675\nCa La Mg Ti O\n4 4 2 6 24\ndirect\n0.990398 0.037824 0.879169 Ca\n0.509602 0.537824 0.879169 Ca\n0.490398 0.462176 0.120831 Ca\n0.009602 0.962176 0.120831 Ca\n0.984658 0.031390 0.380895 La\n0.515342 0.531390 0.380895 La\n0.484658 0.468610 0.619105 La\n0.015342 0.968610 0.619105 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Ti\n0.494084 0.009120 0.245165 Ti\n0.500000 0.000000 0.000000 Ti\n0.505916 0.990880 0.754835 Ti\n0.005916 0.509120 0.245165 Ti\n0.994084 0.490880 0.754835 Ti\n0.916282 0.518976 0.121642 O\n0.920091 0.516387 0.635888 O\n0.778337 0.772923 0.268666 O\n0.782966 0.782950 0.477757 O\n0.778418 0.783375 0.777754 O\n0.781326 0.781335 0.978173 O\n0.721663 0.272923 0.268666 O\n0.717034 0.282950 0.477757 O\n0.721582 0.283375 0.777754 O\n0.718674 0.281335 0.978173 O\n0.583718 0.018976 0.121642 O\n0.579909 0.016387 0.635888 O\n0.416282 0.981024 0.878358 O\n0.420091 0.983613 0.364112 O\n0.281326 0.718665 0.021827 O\n0.278418 0.716625 0.222246 O\n0.282966 0.717050 0.522243 O\n0.278337 0.727077 0.731334 O\n0.218674 0.218665 0.021827 O\n0.221582 0.216625 0.222246 O\n0.217034 0.217050 0.522243 O\n0.221663 0.227077 0.731334 O\n0.079909 0.483613 0.364112 O\n0.083718 0.481024 0.878358 O\n",
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"formula_full": "Ca4 La4 Mg2 Ti6 O24",
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{
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"structure_string": "Li2 Nb6 Bi8 O28\n1.0\n3.896584 6.635095 0.000000\n-3.896584 6.635095 0.000000\n0.000000 2.455143 12.004513\nLi Nb Bi O\n2 6 8 28\ndirect\n0.466978 0.533022 0.750000 Li\n0.533022 0.466978 0.250000 Li\n0.874152 0.620974 0.739600 Nb\n0.379026 0.125848 0.760400 Nb\n0.128760 0.871240 0.250000 Nb\n0.620974 0.874152 0.239600 Nb\n0.125848 0.379026 0.260400 Nb\n0.871240 0.128760 0.750000 Nb\n0.275599 0.492504 0.505678 Bi\n0.023983 0.741718 0.976738 Bi\n0.976017 0.258282 0.023262 Bi\n0.507496 0.724401 0.994322 Bi\n0.741718 0.023983 0.476738 Bi\n0.724401 0.507496 0.494322 Bi\n0.258282 0.976017 0.523262 Bi\n0.492504 0.275599 0.005678 Bi\n0.859979 0.148303 0.584167 O\n0.384869 0.577296 0.910854 O\n0.148303 0.859979 0.084167 O\n0.151515 0.267623 0.414050 O\n0.149474 0.443764 0.086524 O\n0.422704 0.615131 0.589146 O\n0.923849 0.853492 0.771294 O\n0.140021 0.851697 0.415833 O\n0.267623 0.151515 0.914050 O\n0.146508 0.076151 0.728706 O\n0.850526 0.556236 0.913476 O\n0.853492 0.923849 0.271294 O\n0.615131 0.422704 0.089146 O\n0.226740 0.559010 0.281350 O\n0.556236 0.850526 0.413476 O\n0.443764 0.149474 0.586524 O\n0.559010 0.226740 0.781350 O\n0.773260 0.440990 0.718650 O\n0.848520 0.559210 0.283273 O\n0.151480 0.440790 0.716727 O\n0.440990 0.773260 0.218650 O\n0.559210 0.848520 0.783273 O\n0.848485 0.732377 0.585950 O\n0.577296 0.384869 0.410854 O\n0.851697 0.140021 0.915833 O\n0.440790 0.151480 0.216727 O\n0.732377 0.848485 0.085950 O\n0.076151 0.146508 0.228706 O\n",
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{
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"structure_string": "Li4 Ca4 Si10 O26\n1.0\n7.586739 0.000000 0.000000\n1.930120 7.609722 0.000000\n3.722564 0.311511 9.605574\nLi Ca Si O\n4 4 10 26\ndirect\n0.162270 0.407493 0.747677 Li\n0.837730 0.592507 0.252323 Li\n0.177387 0.078271 0.872660 Li\n0.822613 0.921729 0.127340 Li\n0.450945 0.852446 0.391279 Ca\n0.549055 0.147554 0.608721 Ca\n0.976108 0.832953 0.393990 Ca\n0.023892 0.167047 0.606010 Ca\n0.735262 0.231944 0.266051 Si\n0.635633 0.698870 0.038873 Si\n0.782105 0.307569 0.962091 Si\n0.264738 0.768056 0.733949 Si\n0.684763 0.550805 0.591868 Si\n0.364367 0.301130 0.961127 Si\n0.315237 0.449195 0.408132 Si\n0.853920 0.771421 0.736035 Si\n0.146080 0.228579 0.263965 Si\n0.217895 0.692431 0.037909 Si\n0.288979 0.178463 0.103629 O\n0.778901 0.501964 0.006645 O\n0.076539 0.691435 0.741169 O\n0.297696 0.942410 0.635966 O\n0.745856 0.340450 0.577435 O\n0.781592 0.175419 0.103229 O\n0.652751 0.774413 0.170735 O\n0.347249 0.225587 0.829265 O\n0.923461 0.308565 0.258831 O\n0.028049 0.764404 0.167346 O\n0.841205 0.941630 0.631948 O\n0.702304 0.057590 0.364034 O\n0.711021 0.821537 0.896371 O\n0.254144 0.659550 0.422565 O\n0.971951 0.235596 0.832654 O\n0.218408 0.824581 0.896771 O\n0.414272 0.688156 0.067153 O\n0.196022 0.394608 0.316230 O\n0.449139 0.602148 0.688638 O\n0.158795 0.058370 0.368052 O\n0.803978 0.605392 0.683770 O\n0.585728 0.311844 0.932847 O\n0.277153 0.329162 0.551898 O\n0.722847 0.670838 0.448102 O\n0.550861 0.397852 0.311362 O\n0.221099 0.498036 0.993355 O\n",
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