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{
"id": "mp-1188610",
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{
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{
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"structure_string": "Mn2 V3 Fe1 P6 O24\n1.0\n7.475007 -4.319135 0.000000\n7.475007 4.319135 0.000000\n4.979367 0.000000 7.052415\nMn V Fe P O\n2 3 1 6 24\ndirect\n0.998781 0.998781 0.998781 Mn\n0.499685 0.499685 0.499685 Mn\n0.355597 0.355597 0.355597 V\n0.143510 0.143510 0.143510 V\n0.644170 0.644170 0.644170 V\n0.854691 0.854691 0.854691 Fe\n0.457209 0.750378 0.042381 P\n0.750378 0.042381 0.457209 P\n0.042381 0.457209 0.750378 P\n0.959003 0.541321 0.250648 P\n0.250648 0.959003 0.541321 P\n0.541321 0.250648 0.959003 P\n0.692918 0.880945 0.494484 O\n0.880945 0.494484 0.692918 O\n0.494484 0.692918 0.880945 O\n0.262450 0.914012 0.059842 O\n0.615605 0.806369 0.009837 O\n0.437488 0.584165 0.236356 O\n0.914012 0.059842 0.262450 O\n0.584165 0.236356 0.437488 O\n0.995782 0.380591 0.193767 O\n0.236356 0.437488 0.584165 O\n0.945611 0.734464 0.088185 O\n0.193767 0.995782 0.380591 O\n0.806369 0.009837 0.615605 O\n0.059842 0.262450 0.914012 O\n0.764729 0.557463 0.416091 O\n0.009837 0.615605 0.806369 O\n0.416091 0.764729 0.557463 O\n0.088185 0.945611 0.734464 O\n0.557463 0.416091 0.764729 O\n0.380591 0.193767 0.995782 O\n0.734464 0.088185 0.945611 O\n0.498990 0.313966 0.118541 O\n0.118541 0.498990 0.313966 O\n0.313966 0.118541 0.498990 O\n",
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{
"id": "mp-1098348",
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"structure_string": "Na1 Mg30 Ti1 O32\n1.0\n8.538710 0.000000 0.000000\n0.000000 8.538710 0.000000\n0.000000 0.000000 8.551609\nNa Mg Ti O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254878 0.254878 0.000000 Mg\n0.254878 0.745122 0.000000 Mg\n0.745122 0.254878 0.000000 Mg\n0.745122 0.745122 0.000000 Mg\n0.251326 0.251326 0.500000 Mg\n0.251326 0.748674 0.500000 Mg\n0.748674 0.251326 0.500000 Mg\n0.748674 0.748674 0.500000 Mg\n0.000000 0.252802 0.252280 Mg\n0.000000 0.747198 0.252280 Mg\n0.500000 0.252306 0.249041 Mg\n0.500000 0.747694 0.249041 Mg\n0.000000 0.252802 0.747720 Mg\n0.000000 0.747198 0.747720 Mg\n0.500000 0.252306 0.750959 Mg\n0.500000 0.747694 0.750959 Mg\n0.252802 0.000000 0.252280 Mg\n0.252306 0.500000 0.249041 Mg\n0.747198 0.000000 0.252280 Mg\n0.747694 0.500000 0.249041 Mg\n0.252802 0.000000 0.747720 Mg\n0.252306 0.500000 0.750959 Mg\n0.747198 0.000000 0.747720 Mg\n0.747694 0.500000 0.750959 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.248392 O\n0.000000 0.500000 0.250848 O\n0.500000 0.000000 0.250848 O\n0.500000 0.500000 0.262590 O\n0.000000 0.000000 0.751608 O\n0.000000 0.500000 0.749152 O\n0.500000 0.000000 0.749152 O\n0.500000 0.500000 0.737410 O\n0.249196 0.249196 0.249244 O\n0.249196 0.750804 0.249244 O\n0.750804 0.249196 0.249244 O\n0.750804 0.750804 0.249244 O\n0.249196 0.249196 0.750756 O\n0.249196 0.750804 0.750756 O\n0.750804 0.249196 0.750756 O\n0.750804 0.750804 0.750756 O\n0.000000 0.242332 0.000000 O\n0.000000 0.757668 0.000000 O\n0.500000 0.235917 0.000000 O\n0.500000 0.764083 0.000000 O\n0.000000 0.248532 0.500000 O\n0.000000 0.751468 0.500000 O\n0.500000 0.247377 0.500000 O\n0.500000 0.752623 0.500000 O\n0.242332 0.000000 0.000000 O\n0.235917 0.500000 0.000000 O\n0.757668 0.000000 0.000000 O\n0.764083 0.500000 0.000000 O\n0.248532 0.000000 0.500000 O\n0.247377 0.500000 0.500000 O\n0.751468 0.000000 0.500000 O\n0.752623 0.500000 0.500000 O\n",
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"formula_full": "Na1 Mg30 Ti1 O32",
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"updated_at": "2021-11-28T01:36:58.216000Z",
"spacegroup": 123
},
{
"id": "mp-1187187",
"created_at": "2022-09-04T14:45:14.024376Z",
"structure_string": "Sr1 Lu1\n1.0\n1.881917 -3.259577 0.000000\n1.881917 3.259577 0.000000\n0.000000 0.000000 6.276966\nSr Lu\n1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.500000 Lu\n",
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{
"id": "mp-1210107",
"created_at": "2022-09-04T14:45:14.029643Z",
"structure_string": "Re4 Ru4 N20 Cl28\n1.0\n8.511881 0.000000 0.000000\n0.000000 11.275556 0.000000\n0.000000 0.311297 15.741743\nRe Ru N Cl\n4 4 20 28\ndirect\n0.250000 0.837307 0.129373 Re\n0.750000 0.162693 0.870627 Re\n0.250000 0.657647 0.633836 Re\n0.750000 0.342353 0.366164 Re\n0.250000 0.349741 0.139015 Ru\n0.750000 0.650259 0.860985 Ru\n0.250000 0.147885 0.633860 Ru\n0.750000 0.852115 0.366140 Ru\n0.250000 0.504396 0.103993 N\n0.750000 0.495604 0.896007 N\n0.478798 0.329383 0.112213 N\n0.521202 0.670617 0.887787 N\n0.978798 0.670617 0.887787 N\n0.021202 0.329383 0.112213 N\n0.918565 0.950195 0.392125 N\n0.081435 0.049805 0.607875 N\n0.418565 0.049805 0.607875 N\n0.581435 0.950195 0.392125 N\n0.250000 0.164466 0.740560 N\n0.750000 0.835534 0.259440 N\n0.250000 0.176123 0.103612 N\n0.750000 0.823877 0.896388 N\n0.901711 0.719042 0.407113 N\n0.098289 0.280958 0.592887 N\n0.401711 0.280958 0.592887 N\n0.598289 0.719042 0.407113 N\n0.250000 0.340473 0.246583 N\n0.750000 0.659527 0.753417 N\n0.250000 0.808273 0.535089 Cl\n0.750000 0.191727 0.464911 Cl\n0.250000 0.795073 0.739348 Cl\n0.750000 0.204927 0.260652 Cl\n0.250000 0.517320 0.530620 Cl\n0.750000 0.482680 0.469380 Cl\n0.250000 0.825088 0.275602 Cl\n0.750000 0.174912 0.724398 Cl\n0.435575 0.692848 0.125825 Cl\n0.564425 0.307152 0.874175 Cl\n0.935575 0.307152 0.874175 Cl\n0.064425 0.692848 0.125825 Cl\n0.250000 0.345363 0.970270 Cl\n0.750000 0.654637 0.029730 Cl\n0.250000 0.144462 0.461218 Cl\n0.750000 0.855538 0.538782 Cl\n0.483811 0.347674 0.369852 Cl\n0.516189 0.652326 0.630148 Cl\n0.983811 0.652326 0.630148 Cl\n0.016189 0.347674 0.369852 Cl\n0.250000 0.510235 0.737850 Cl\n0.750000 0.489765 0.262150 Cl\n0.439038 0.981792 0.137745 Cl\n0.560962 0.018208 0.862255 Cl\n0.939038 0.018208 0.862255 Cl\n0.060962 0.981792 0.137745 Cl\n0.250000 0.854563 0.984967 Cl\n0.750000 0.145437 0.015033 Cl\n",
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},
{
"id": "mp-865270",
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"structure_string": "Tm1 Ta1 Os2\n1.0\n0.000000 3.263347 3.263347\n3.263347 0.000000 3.263347\n3.263347 3.263347 0.000000\nTm Ta Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n",
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{
"id": "mp-530336",
"created_at": "2022-09-04T14:45:14.037282Z",
"structure_string": "Li9 Mn22 O48\n1.0\n2.938581 5.100774 0.000000\n-2.938581 5.100774 0.000000\n0.000000 0.580765 28.716293\nLi Mn O\n9 22 48\ndirect\n0.839526 0.839526 0.977401 Li\n0.499617 0.499617 0.816179 Li\n0.172509 0.172509 0.644016 Li\n0.827325 0.827325 0.855851 Li\n0.834078 0.834078 0.482179 Li\n0.500203 0.500203 0.683703 Li\n0.160063 0.160063 0.522603 Li\n0.495816 0.495816 0.187633 Li\n0.168013 0.168013 0.017577 Li\n0.500928 0.500928 0.997518 Mn\n0.333440 0.833562 0.916702 Mn\n0.999895 0.999895 0.749893 Mn\n0.833562 0.333440 0.916702 Mn\n0.166431 0.166431 0.835828 Mn\n0.999922 0.499873 0.749905 Mn\n0.499873 0.999922 0.749905 Mn\n0.833239 0.833239 0.663987 Mn\n0.666487 0.166014 0.583125 Mn\n0.166014 0.666487 0.583125 Mn\n0.500047 0.500047 0.502517 Mn\n0.999529 0.999529 0.250849 Mn\n0.334022 0.833363 0.416475 Mn\n0.833363 0.334022 0.416475 Mn\n0.171126 0.171126 0.333333 Mn\n0.334392 0.334392 0.416296 Mn\n0.999849 0.498365 0.250602 Mn\n0.498365 0.999849 0.250602 Mn\n0.829027 0.829027 0.166098 Mn\n0.667110 0.166491 0.083237 Mn\n0.166491 0.667110 0.083237 Mn\n0.666593 0.666593 0.083418 Mn\n0.677200 0.208612 0.962167 O\n0.208612 0.677200 0.962167 O\n0.514999 0.514999 0.883023 O\n0.653033 0.653033 0.955564 O\n0.014044 0.014044 0.877776 O\n0.312289 0.866870 0.787964 O\n0.458375 0.989858 0.871281 O\n0.151860 0.151860 0.950484 O\n0.866870 0.312289 0.787964 O\n0.164011 0.164011 0.714260 O\n0.989858 0.458375 0.871281 O\n0.313229 0.313229 0.788962 O\n0.009802 0.541354 0.628461 O\n0.686567 0.686567 0.710820 O\n0.541354 0.009802 0.628461 O\n0.835782 0.835782 0.785521 O\n0.132862 0.687501 0.711804 O\n0.848106 0.848106 0.549270 O\n0.985688 0.985688 0.622014 O\n0.687501 0.132862 0.711804 O\n0.347149 0.347149 0.544004 O\n0.646789 0.200913 0.454535 O\n0.200913 0.646789 0.454535 O\n0.791830 0.323118 0.537783 O\n0.502935 0.502935 0.382854 O\n0.484512 0.484512 0.616834 O\n0.647245 0.647245 0.455588 O\n0.323118 0.791830 0.537783 O\n0.328982 0.877585 0.292995 O\n0.023558 0.023558 0.378394 O\n0.461661 0.022063 0.378497 O\n0.166204 0.166204 0.217489 O\n0.877585 0.328982 0.292995 O\n0.165696 0.165696 0.451439 O\n0.316469 0.316469 0.287927 O\n0.022063 0.461661 0.378497 O\n0.975985 0.539170 0.122299 O\n0.681229 0.681229 0.211622 O\n0.539170 0.975985 0.122299 O\n0.125803 0.671654 0.207278 O\n0.832231 0.832231 0.283050 O\n0.830334 0.830334 0.047619 O\n0.975938 0.975938 0.122034 O\n0.671654 0.125803 0.207278 O\n0.354046 0.354046 0.044456 O\n0.800274 0.355758 0.045287 O\n0.502049 0.502049 0.118826 O\n0.355758 0.800274 0.045287 O\n",
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"density": 3.9332417865600524,
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"formula_full": "Li9 Mn22 O48",
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{
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{
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{
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}