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{
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{
"id": "mp-1180484",
"created_at": "2022-09-04T14:39:45.113144Z",
"structure_string": "Mn4 Ag4 O16\n1.0\n6.166097 0.000000 0.000000\n0.000000 7.148093 0.000000\n0.000000 0.000000 8.228820\nMn Ag O\n4 4 16\ndirect\n0.750000 0.156316 0.526240 Mn\n0.250000 0.656316 0.973760 Mn\n0.250000 0.843684 0.473760 Mn\n0.750000 0.343684 0.026240 Mn\n0.750000 0.827678 0.199769 Ag\n0.250000 0.327678 0.300231 Ag\n0.250000 0.172322 0.800231 Ag\n0.750000 0.672322 0.699769 Ag\n0.750000 0.972874 0.644436 O\n0.250000 0.472874 0.855564 O\n0.250000 0.027126 0.355564 O\n0.750000 0.527126 0.144436 O\n0.750000 0.086420 0.336996 O\n0.250000 0.586420 0.163004 O\n0.250000 0.913580 0.663004 O\n0.750000 0.413580 0.836996 O\n0.533153 0.280166 0.558578 O\n0.033153 0.780166 0.941422 O\n0.466847 0.719834 0.441422 O\n0.966847 0.219834 0.058578 O\n0.966847 0.280166 0.558578 O\n0.466847 0.780166 0.941422 O\n0.033153 0.719834 0.441422 O\n0.533153 0.219834 0.058578 O\n",
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{
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"structure_string": "Mg1 Si6 O12\n1.0\n4.759997 0.146377 1.705407\n2.036303 7.532948 2.355086\n0.067122 0.220784 7.535572\nMg Si O\n1 6 12\ndirect\n0.741967 0.551776 0.252313 Mg\n0.282772 0.329489 0.315996 Si\n0.984759 0.168508 0.177216 Si\n0.666152 0.643318 0.678926 Si\n0.985681 0.830542 0.833214 Si\n0.998293 0.231841 0.752538 Si\n0.029005 0.778090 0.257528 Si\n0.727794 0.423202 0.751668 O\n0.894797 0.051407 0.777871 O\n0.359572 0.701198 0.255436 O\n0.880996 0.987357 0.267798 O\n0.261817 0.254758 0.557356 O\n0.110976 0.201796 0.941489 O\n0.319212 0.741660 0.721456 O\n0.792148 0.738782 0.780072 O\n0.667328 0.326876 0.236452 O\n0.252960 0.151913 0.260702 O\n0.944077 0.754765 0.070059 O\n0.799695 0.677363 0.442269 O\n",
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"formula_full": "Mg1 Si6 O12",
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{
"id": "mp-735597",
"created_at": "2022-09-04T14:39:42.705981Z",
"structure_string": "K16 H16 W4 C32 N32 O8\n1.0\n8.809656 0.000000 0.000000\n0.000000 11.914024 0.000000\n0.000000 0.000000 17.029359\nK H W C N O\n16 16 4 32 32 8\ndirect\n0.531066 0.250000 0.361525 K\n0.968934 0.250000 0.861525 K\n0.468934 0.750000 0.638475 K\n0.031066 0.750000 0.138475 K\n0.021164 0.250000 0.457162 K\n0.478836 0.250000 0.957162 K\n0.978836 0.750000 0.542838 K\n0.521164 0.750000 0.042838 K\n0.804223 0.049854 0.650939 K\n0.695777 0.450146 0.150939 K\n0.195777 0.549854 0.349061 K\n0.304223 0.950146 0.849061 K\n0.195777 0.950146 0.349061 K\n0.304223 0.549854 0.849061 K\n0.804223 0.450146 0.650939 K\n0.695777 0.049854 0.150939 K\n0.868309 0.015769 0.431955 H\n0.631691 0.484231 0.931955 H\n0.131691 0.515769 0.568045 H\n0.368309 0.984231 0.068045 H\n0.131691 0.984231 0.568045 H\n0.368309 0.515769 0.068045 H\n0.868309 0.484231 0.431955 H\n0.631691 0.015769 0.931955 H\n0.843294 0.050875 0.346354 H\n0.656706 0.449125 0.846354 H\n0.156706 0.550875 0.653646 H\n0.343294 0.949125 0.153646 H\n0.156706 0.949125 0.653646 H\n0.343294 0.550875 0.153646 H\n0.843294 0.449125 0.346354 H\n0.656706 0.050875 0.846354 H\n0.402878 0.250000 0.635983 W\n0.097122 0.250000 0.135983 W\n0.597122 0.750000 0.364017 W\n0.902878 0.750000 0.864017 W\n0.155880 0.250000 0.640519 C\n0.344120 0.250000 0.140519 C\n0.844120 0.750000 0.359481 C\n0.655880 0.750000 0.859481 C\n0.601474 0.250000 0.714854 C\n0.898526 0.250000 0.214854 C\n0.398526 0.750000 0.285146 C\n0.101474 0.750000 0.785146 C\n0.605320 0.250000 0.560766 C\n0.894680 0.250000 0.060766 C\n0.394680 0.750000 0.439234 C\n0.105320 0.750000 0.939234 C\n0.323757 0.250000 0.758454 C\n0.176243 0.250000 0.258454 C\n0.676243 0.750000 0.241546 C\n0.823757 0.750000 0.741546 C\n0.427948 0.425209 0.671630 C\n0.072052 0.074791 0.171630 C\n0.572052 0.925209 0.328370 C\n0.927948 0.574791 0.828370 C\n0.572052 0.574791 0.328370 C\n0.927948 0.925209 0.828370 C\n0.427948 0.074791 0.671630 C\n0.072052 0.425209 0.171630 C\n0.331259 0.361346 0.538612 C\n0.168741 0.138654 0.038612 C\n0.668741 0.861346 0.461388 C\n0.831259 0.638654 0.961388 C\n0.668741 0.638654 0.461388 C\n0.831259 0.861346 0.961388 C\n0.331259 0.138654 0.538612 C\n0.168741 0.361346 0.038612 C\n0.792928 0.250000 0.257205 N\n0.707072 0.250000 0.757205 N\n0.207072 0.750000 0.742795 N\n0.292928 0.750000 0.242795 N\n0.713130 0.250000 0.519880 N\n0.786870 0.250000 0.019880 N\n0.286870 0.750000 0.480120 N\n0.213130 0.750000 0.980120 N\n0.217431 0.250000 0.324168 N\n0.282569 0.250000 0.824168 N\n0.782569 0.750000 0.675832 N\n0.717431 0.750000 0.175832 N\n0.022259 0.250000 0.637869 N\n0.477741 0.250000 0.137869 N\n0.977741 0.750000 0.362131 N\n0.522259 0.750000 0.862131 N\n0.556111 0.481060 0.307891 N\n0.943889 0.018940 0.807891 N\n0.443889 0.981060 0.692109 N\n0.056111 0.518940 0.192109 N\n0.443889 0.518940 0.692109 N\n0.056111 0.981060 0.192109 N\n0.556111 0.018940 0.307891 N\n0.943889 0.481060 0.807891 N\n0.282868 0.420322 0.489060 N\n0.217132 0.079678 0.989060 N\n0.717132 0.920322 0.510940 N\n0.782868 0.579678 0.010940 N\n0.717132 0.579678 0.510940 N\n0.782868 0.920322 0.010940 N\n0.282868 0.079678 0.489060 N\n0.217132 0.420322 0.989060 N\n0.919106 0.053429 0.388138 O\n0.580894 0.446571 0.888138 O\n0.080894 0.553429 0.611862 O\n0.419106 0.946571 0.111862 O\n0.080894 0.946571 0.611862 O\n0.419106 0.553429 0.111862 O\n0.919106 0.446571 0.388138 O\n0.580894 0.053429 0.888138 O\n",
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"density": 2.1717297151290023,
"density_atomic": 0.06042379989415732,
"volume": 1787.3751764897372,
"volume_molar": 9.96650454051022,
"formula_full": "K16 H16 W4 C32 N32 O8",
"formula_reduced": "K4H4WC8(N4O)2",
"formula_anonymous": "AB2C4D4E8F8",
"energy": -768.3652602799999,
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{
"id": "mp-756303",
"created_at": "2022-09-04T14:39:45.230723Z",
"structure_string": "Li16 Y12 Mn4 O32\n1.0\n-3.089808 5.278063 6.116951\n3.089972 -5.277850 6.116850\n9.025280 5.283661 0.000182\nLi Y Mn O\n16 12 4 32\ndirect\n0.249991 0.250010 0.000000 Li\n0.749991 0.750010 0.000000 Li\n0.999991 0.500010 0.500000 Li\n0.499991 0.000010 0.500000 Li\n0.000004 0.999996 0.500000 Li\n0.500004 0.499996 0.500000 Li\n0.750004 0.249996 0.000000 Li\n0.250004 0.749996 0.000000 Li\n0.502711 0.252713 0.749989 Li\n0.002711 0.752713 0.749989 Li\n0.252711 0.502713 0.249989 Li\n0.752711 0.002713 0.249989 Li\n0.247289 0.997288 0.250009 Li\n0.747289 0.497288 0.250009 Li\n0.997289 0.247288 0.750009 Li\n0.497289 0.747288 0.750009 Li\n0.499992 0.000008 0.999999 Y\n0.999992 0.500008 0.999999 Y\n0.249992 0.250008 0.499999 Y\n0.749992 0.750008 0.499999 Y\n0.253567 0.503565 0.749998 Y\n0.753567 0.003565 0.749998 Y\n0.003567 0.753565 0.249998 Y\n0.503567 0.253565 0.249998 Y\n0.996428 0.246436 0.250005 Y\n0.496428 0.746436 0.250005 Y\n0.746428 0.496436 0.750005 Y\n0.246428 0.996436 0.750005 Y\n0.500008 0.500006 0.000007 Mn\n0.250008 0.750006 0.500007 Mn\n0.000008 0.000006 0.000007 Mn\n0.750008 0.250006 0.500007 Mn\n0.249958 0.249993 0.714010 O\n0.749958 0.749993 0.714010 O\n0.999958 0.499993 0.214010 O\n0.499958 0.999993 0.214010 O\n0.250004 0.250042 0.285984 O\n0.750004 0.750042 0.285984 O\n0.000004 0.500042 0.785984 O\n0.500004 0.000042 0.785984 O\n0.000062 0.000002 0.221384 O\n0.500062 0.500002 0.221384 O\n0.750062 0.250002 0.721384 O\n0.250062 0.750002 0.721384 O\n0.499995 0.499938 0.778610 O\n0.999995 0.999938 0.778610 O\n0.249995 0.749938 0.278610 O\n0.749995 0.249938 0.278610 O\n0.249715 0.514760 0.519084 O\n0.749715 0.014760 0.519084 O\n0.999715 0.764760 0.019084 O\n0.499715 0.264760 0.019084 O\n0.264749 0.499714 0.980953 O\n0.764749 0.999714 0.980953 O\n0.014749 0.749714 0.480953 O\n0.514749 0.249714 0.480953 O\n0.000284 0.235247 0.019050 O\n0.500284 0.735247 0.019050 O\n0.750284 0.485247 0.519050 O\n0.250284 0.985247 0.519050 O\n0.985243 0.250283 0.480916 O\n0.485243 0.750283 0.480916 O\n0.735243 0.500283 0.980916 O\n0.235243 0.000283 0.980916 O\n",
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{
"id": "mp-1520385",
"created_at": "2022-09-04T14:39:41.824012Z",
"structure_string": "Sr1 Ca1 Dy1 Bi1 O6\n1.0\n0.000000 -4.280974 -4.280974\n4.280974 -0.000000 -4.280974\n4.280974 -4.280974 -0.000000\nSr Ca Dy Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Dy\n-0.000000 0.000000 0.000000 Bi\n0.755454 0.244546 0.244546 O\n0.244546 0.755454 0.755454 O\n0.755454 0.244546 0.755454 O\n0.244546 0.755454 0.244546 O\n0.755454 0.755454 0.244546 O\n0.244546 0.244546 0.755454 O\n",
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"formula_full": "Sr1 Ca1 Dy1 Bi1 O6",
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{
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"created_at": "2022-09-04T14:39:45.044361Z",
"structure_string": "Li8 Mn4 P8 O32\n1.0\n-2.030082 -1.102770 4.048811\n4.958807 -0.136950 -0.104141\n-0.966534 26.999599 7.992068\nLi Mn P O\n8 4 8 32\ndirect\n0.673942 0.208125 0.037749 Li\n0.424033 0.208265 0.287765 Li\n0.173928 0.208264 0.537759 Li\n0.923924 0.208103 0.787710 Li\n0.075823 0.791726 0.212276 Li\n0.825966 0.791754 0.462234 Li\n0.575896 0.791698 0.712258 Li\n0.325830 0.791622 0.962269 Li\n0.874610 0.499947 0.624993 Mn\n0.625175 0.500120 0.874966 Mn\n0.375346 0.500041 0.125022 Mn\n0.125345 0.500109 0.375005 Mn\n0.714707 0.157508 0.177930 P\n0.464764 0.157606 0.427912 P\n0.214157 0.157234 0.677905 P\n0.964556 0.157477 0.927882 P\n0.035654 0.842687 0.072111 P\n0.785690 0.842795 0.322097 P\n0.535125 0.842402 0.572094 P\n0.285515 0.842667 0.822063 P\n0.539820 0.149769 0.224321 O\n0.289952 0.149889 0.474305 O\n0.039258 0.149767 0.724301 O\n0.789751 0.149806 0.974298 O\n0.210349 0.850047 0.025711 O\n0.960513 0.850226 0.275703 O\n0.709970 0.850024 0.525693 O\n0.460476 0.850235 0.775682 O\n0.581786 0.263318 0.137198 O\n0.331916 0.263506 0.387180 O\n0.081367 0.263333 0.637162 O\n0.831645 0.263430 0.887154 O\n0.168412 0.736530 0.112847 O\n0.918501 0.736705 0.362834 O\n0.667947 0.736518 0.612820 O\n0.418194 0.736606 0.862794 O\n0.062524 0.166046 0.085986 O\n0.812544 0.166154 0.335972 O\n0.562025 0.165842 0.585928 O\n0.312377 0.166015 0.835918 O\n0.687856 0.834046 0.164085 O\n0.437901 0.834142 0.414062 O\n0.187246 0.833821 0.664035 O\n0.937644 0.833988 0.914023 O\n0.083870 0.378799 0.182442 O\n0.833986 0.378900 0.432421 O\n0.583480 0.378804 0.682417 O\n0.333783 0.378908 0.932394 O\n0.666287 0.621074 0.067608 O\n0.416374 0.621195 0.317590 O\n0.165985 0.621144 0.567577 O\n0.916276 0.621264 0.817537 O\n",
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"formula_full": "Li8 Mn4 P8 O32",
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{
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{
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{
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{
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{
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{
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"structure_string": "Ga50 N50\n1.0\n12.381196 0.714554 0.119887\n0.702295 11.082496 -0.168241\n0.102247 -0.137489 12.274337\nGa N\n50 50\ndirect\n0.713223 0.690762 0.588805 Ga\n0.259631 0.341974 0.301859 Ga\n0.833110 0.390536 0.846199 Ga\n0.846838 0.562331 0.388402 Ga\n0.512766 0.319423 0.157972 Ga\n0.445864 0.693179 0.591257 Ga\n0.704191 0.941905 0.848891 Ga\n0.205609 0.625575 0.547983 Ga\n0.782561 0.386974 0.138906 Ga\n0.924506 0.554586 0.942318 Ga\n0.888463 0.844834 0.889877 Ga\n0.071566 0.902815 0.048897 Ga\n0.562370 0.534898 0.778295 Ga\n0.617895 0.333753 0.939555 Ga\n0.062410 0.246760 0.601531 Ga\n0.446313 0.699093 0.036790 Ga\n0.792656 0.063041 0.321055 Ga\n0.666416 0.558908 0.008804 Ga\n0.928242 0.557276 0.172400 Ga\n0.979922 0.139753 0.868202 Ga\n0.003488 0.006746 0.232706 Ga\n0.335381 0.498077 0.085779 Ga\n0.972650 0.287745 0.298638 Ga\n0.438906 0.628592 0.242711 Ga\n0.292392 0.625930 0.798406 Ga\n0.391186 0.113235 0.318329 Ga\n0.179264 0.129138 0.186845 Ga\n0.252855 0.580136 0.341362 Ga\n0.906958 0.693451 0.678961 Ga\n0.705485 0.155625 0.833091 Ga\n0.148891 0.413021 0.022275 Ga\n0.592511 0.700333 0.355384 Ga\n0.270258 0.791716 0.959185 Ga\n0.098814 0.592049 0.781483 Ga\n0.561619 0.938142 0.302316 Ga\n0.149953 0.116048 0.985608 Ga\n0.681834 0.902571 0.501656 Ga\n0.645163 0.836169 0.090632 Ga\n0.374341 0.779080 0.413879 Ga\n0.032111 0.757060 0.318415 Ga\n0.823149 0.047130 0.058034 Ga\n0.816485 0.806749 0.184982 Ga\n0.201580 0.174501 0.453113 Ga\n0.074863 0.370441 0.827584 Ga\n0.385053 0.875517 0.194009 Ga\n0.139462 0.673911 0.096743 Ga\n0.004923 0.062430 0.469593 Ga\n0.216330 0.944337 0.388121 Ga\n0.005635 0.480663 0.527986 Ga\n0.598958 0.778816 0.823833 Ga\n0.522114 0.423171 0.413159 N\n0.860296 0.414225 0.665226 N\n0.725179 0.210269 0.568371 N\n0.050908 0.226190 0.752487 N\n0.056031 0.614344 0.623969 N\n0.953082 0.684206 0.836028 N\n0.036773 0.551938 0.056775 N\n0.578161 0.673293 0.688943 N\n0.416767 0.011438 0.594446 N\n0.441903 0.527750 0.964946 N\n0.874620 0.431832 0.266365 N\n0.593125 0.721685 0.981053 N\n0.298382 0.215428 0.724048 N\n0.678352 0.994006 0.017223 N\n0.416790 0.025191 0.839835 N\n0.307094 0.306477 0.761022 N\n0.592562 0.081598 0.061407 N\n0.909157 0.900566 0.659321 N\n0.128921 0.247735 0.309956 N\n0.813485 0.539180 0.060609 N\n0.339641 0.203927 0.979936 N\n0.416563 0.244905 0.997281 N\n0.534852 0.368774 0.662989 N\n0.897773 0.694355 0.279583 N\n0.207575 0.913522 0.700690 N\n0.143675 0.653740 0.252230 N\n0.705257 0.626657 0.441975 N\n0.674703 0.007667 0.385740 N\n0.121609 0.951645 0.687270 N\n0.950838 0.196918 0.155176 N\n0.877627 0.961777 0.590152 N\n0.947786 0.981300 0.958198 N\n0.498054 0.044165 0.602627 N\n0.917036 0.141828 0.354489 N\n0.282333 0.005612 0.249608 N\n0.057674 0.914678 0.370489 N\n0.423025 0.538450 0.856892 N\n0.864785 0.215825 0.105796 N\n0.795449 0.475002 0.618775 N\n0.833650 0.221566 0.864094 N\n0.855431 0.969762 0.197808 N\n0.561167 0.352152 0.353679 N\n0.740190 0.267611 0.497809 N\n0.197970 0.946839 0.970539 N\n0.632861 0.404190 0.089316 N\n0.322230 0.630224 0.645851 N\n0.437228 0.925078 0.849710 N\n0.622802 0.157958 0.125702 N\n0.480656 0.319943 0.610342 N\n0.678558 0.469508 0.864851 N\n",
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}
]
}