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{
"id": "mp-1040290",
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"structure_string": "K1 Na1 Mg30 O31\n1.0\n8.484542 0.000000 0.000000\n0.000000 8.648501 0.000000\n0.000000 0.000000 8.689112\nK Na Mg O\n1 1 30 31\ndirect\n0.070461 0.000000 0.000000 K\n0.993669 0.000000 0.500000 Na\n0.991605 0.500000 0.000000 Mg\n0.996134 0.500000 0.500000 Mg\n0.520308 0.000000 0.000000 Mg\n0.501415 0.000000 0.500000 Mg\n0.504348 0.500000 0.000000 Mg\n0.500829 0.500000 0.500000 Mg\n0.997112 0.249041 0.253000 Mg\n0.997112 0.249041 0.747000 Mg\n0.997112 0.750959 0.253000 Mg\n0.997112 0.750959 0.747000 Mg\n0.498891 0.247600 0.248742 Mg\n0.498891 0.247600 0.751258 Mg\n0.498891 0.752400 0.248742 Mg\n0.498891 0.752400 0.751258 Mg\n0.244058 0.000000 0.279508 Mg\n0.244058 0.000000 0.720492 Mg\n0.247423 0.500000 0.254135 Mg\n0.247423 0.500000 0.745865 Mg\n0.759380 0.000000 0.249379 Mg\n0.759380 0.000000 0.750621 Mg\n0.748914 0.500000 0.250932 Mg\n0.748914 0.500000 0.749068 Mg\n0.248015 0.277864 0.000000 Mg\n0.246765 0.253105 0.500000 Mg\n0.248015 0.722136 0.000000 Mg\n0.246765 0.746895 0.500000 Mg\n0.757993 0.245481 0.000000 Mg\n0.749996 0.247539 0.500000 Mg\n0.757993 0.754519 0.000000 Mg\n0.749996 0.752461 0.500000 Mg\n0.265470 0.000000 0.500000 O\n0.256365 0.500000 0.000000 O\n0.253104 0.500000 0.500000 O\n0.749217 0.000000 0.000000 O\n0.732207 0.000000 0.500000 O\n0.743924 0.500000 0.000000 O\n0.744772 0.500000 0.500000 O\n0.247934 0.244233 0.243067 O\n0.247934 0.244233 0.756933 O\n0.247934 0.755767 0.243067 O\n0.247934 0.755767 0.756933 O\n0.747504 0.249214 0.248979 O\n0.747504 0.249214 0.751021 O\n0.747504 0.750786 0.248979 O\n0.747504 0.750786 0.751021 O\n0.001659 0.000000 0.257769 O\n0.001659 0.000000 0.742231 O\n0.000186 0.500000 0.250758 O\n0.000186 0.500000 0.749242 O\n0.488445 0.000000 0.239667 O\n0.488445 0.000000 0.760333 O\n0.496532 0.500000 0.248246 O\n0.496532 0.500000 0.751754 O\n0.002440 0.270733 0.000000 O\n0.000922 0.265410 0.500000 O\n0.002440 0.729267 0.000000 O\n0.000922 0.734590 0.500000 O\n0.491515 0.244223 0.000000 O\n0.495960 0.251406 0.500000 O\n0.491515 0.755777 0.000000 O\n0.495960 0.748594 0.500000 O\n",
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"updated_at": "2021-11-28T01:36:01.094000Z",
"spacegroup": 25
},
{
"id": "mp-5864",
"created_at": "2022-09-04T14:42:58.007606Z",
"structure_string": "Fe4 P4 S12\n1.0\n-5.573310 0.000981 1.805054\n-0.001128 10.360936 0.002147\n-0.235558 -0.001433 -7.081647\nFe P S\n4 4 12\ndirect\n0.999486 0.323637 0.000023 Fe\n0.500543 0.175959 0.999977 Fe\n0.501490 0.824007 0.999983 Fe\n0.998338 0.676298 0.000016 Fe\n0.949665 0.000018 0.838655 P\n0.449460 0.500018 0.838835 P\n0.050701 0.999979 0.161220 P\n0.550226 0.499973 0.161286 P\n0.267668 0.000029 0.774071 S\n0.767583 0.499936 0.774306 S\n0.732360 0.000084 0.225639 S\n0.232427 0.499985 0.226002 S\n0.755891 0.166305 0.768483 S\n0.255957 0.666480 0.768775 S\n0.244135 0.166347 0.231390 S\n0.743997 0.666388 0.231550 S\n0.244200 0.833659 0.231401 S\n0.744015 0.333591 0.231338 S\n0.755849 0.833753 0.768271 S\n0.256009 0.333551 0.768782 S\n",
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{
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"structure_string": "Ce5 Ag1 S8\n1.0\n-4.256932 4.256932 4.305177\n4.256932 -4.256932 4.305177\n4.256932 4.256932 -4.305177\nCe Ag S\n5 1 8\ndirect\n0.750901 0.132955 0.118842 Ce\n0.367941 0.249099 0.382053 Ce\n0.014113 0.632059 0.881158 Ce\n0.500000 0.500000 0.000000 Ce\n0.867045 0.985887 0.617947 Ce\n0.250000 0.750000 0.500000 Ag\n0.273044 0.026692 0.893165 S\n0.620121 0.726956 0.753648 S\n0.117802 0.357253 0.602800 S\n0.484998 0.882198 0.239452 S\n0.642747 0.245546 0.760548 S\n0.973308 0.866473 0.246352 S\n0.133527 0.379879 0.106835 S\n0.754454 0.515002 0.397200 S\n",
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{
"id": "mp-770940",
"created_at": "2022-09-04T14:42:58.030528Z",
"structure_string": "Na12 Ni4 As4 C4 O28\n1.0\n0.039742 -0.000105 5.253746\n9.077611 0.000161 0.103310\n0.000242 13.701563 -0.000291\nNa Ni As C O\n12 4 4 4 28\ndirect\n0.764710 0.079727 0.125015 Na\n0.764753 0.079673 0.625001 Na\n0.235293 0.920294 0.374991 Na\n0.235253 0.920322 0.874997 Na\n0.250040 0.260208 0.002545 Na\n0.250131 0.260150 0.502540 Na\n0.250071 0.260221 0.247468 Na\n0.250058 0.260157 0.747459 Na\n0.749931 0.739800 0.252535 Na\n0.749942 0.739850 0.752538 Na\n0.749956 0.739828 0.497463 Na\n0.749870 0.739848 0.997462 Na\n0.784605 0.342279 0.874862 Ni\n0.215373 0.657637 0.625140 Ni\n0.784685 0.342362 0.375045 Ni\n0.215331 0.657631 0.124930 Ni\n0.704579 0.417789 0.124986 As\n0.704596 0.417778 0.625001 As\n0.295433 0.582222 0.375014 As\n0.295394 0.582210 0.874993 As\n0.724032 0.060746 0.375021 C\n0.723970 0.060735 0.874986 C\n0.275971 0.939270 0.124983 C\n0.276027 0.939250 0.625015 C\n0.293543 0.081201 0.125011 O\n0.293536 0.081177 0.624999 O\n0.706458 0.918822 0.374988 O\n0.706437 0.918816 0.875009 O\n0.946368 0.122521 0.375041 O\n0.946290 0.122526 0.874980 O\n0.053636 0.877497 0.124963 O\n0.053717 0.877451 0.625016 O\n0.521515 0.145893 0.375016 O\n0.521441 0.145880 0.874965 O\n0.478486 0.854128 0.124989 O\n0.478572 0.854123 0.625032 O\n0.378314 0.449494 0.125001 O\n0.378339 0.449460 0.625043 O\n0.621700 0.550522 0.375005 O\n0.621636 0.550496 0.874956 O\n0.150917 0.415029 0.375030 O\n0.150838 0.415042 0.874988 O\n0.849094 0.584978 0.124974 O\n0.849116 0.584958 0.625013 O\n0.782173 0.306838 0.026573 O\n0.782277 0.306792 0.526613 O\n0.782379 0.306837 0.223390 O\n0.782421 0.306764 0.723378 O\n0.217628 0.693182 0.276615 O\n0.217590 0.693215 0.776610 O\n0.217821 0.693160 0.473431 O\n0.217749 0.693211 0.973384 O\n",
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{
"id": "mp-21925",
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"structure_string": "Fe8 Mo12 O48\n1.0\n9.463205 0.000000 0.000000\n0.000000 9.548117 0.000000\n0.000000 0.000000 13.182885\nFe Mo O\n8 12 48\ndirect\n0.749976 0.465851 0.380967 Fe\n0.749976 0.034149 0.619033 Fe\n0.750024 0.965851 0.119033 Fe\n0.750024 0.534149 0.880967 Fe\n0.250024 0.534149 0.619033 Fe\n0.250024 0.965851 0.380967 Fe\n0.249976 0.034149 0.880967 Fe\n0.249976 0.465851 0.119033 Fe\n0.526659 0.750000 0.500000 Mo\n0.026659 0.750000 0.000000 Mo\n0.473341 0.250000 0.500000 Mo\n0.973341 0.250000 0.000000 Mo\n0.894788 0.116326 0.355263 Mo\n0.894788 0.383674 0.644737 Mo\n0.605212 0.616326 0.144737 Mo\n0.605212 0.883674 0.855263 Mo\n0.105212 0.883674 0.644737 Mo\n0.105212 0.616326 0.355263 Mo\n0.394788 0.383674 0.855263 Mo\n0.394788 0.116326 0.144737 Mo\n0.359780 0.298094 0.168698 O\n0.359780 0.201906 0.831302 O\n0.140220 0.798094 0.331302 O\n0.140220 0.701906 0.668698 O\n0.640220 0.701906 0.831302 O\n0.640220 0.798094 0.168698 O\n0.859780 0.201906 0.668698 O\n0.859780 0.298094 0.331302 O\n0.320579 0.070371 0.024653 O\n0.320579 0.429629 0.975347 O\n0.179421 0.570371 0.475347 O\n0.179421 0.929629 0.524653 O\n0.679421 0.929629 0.975347 O\n0.679421 0.570371 0.024653 O\n0.820579 0.429629 0.524653 O\n0.820579 0.070371 0.475347 O\n0.916660 0.661775 0.909538 O\n0.083340 0.161775 0.909538 O\n0.416660 0.838225 0.409538 O\n0.416660 0.661775 0.590462 O\n0.582565 0.090873 0.141566 O\n0.582565 0.409127 0.858434 O\n0.917435 0.590873 0.358434 O\n0.917435 0.909127 0.641566 O\n0.417435 0.909127 0.858434 O\n0.417435 0.590873 0.141566 O\n0.082565 0.409127 0.641566 O\n0.082565 0.090873 0.358434 O\n0.864627 0.126869 0.066197 O\n0.864627 0.373131 0.933803 O\n0.635373 0.626869 0.433803 O\n0.635373 0.873131 0.566197 O\n0.135373 0.873131 0.933803 O\n0.135373 0.626869 0.066197 O\n0.364627 0.373131 0.566197 O\n0.364627 0.126869 0.433803 O\n0.817801 0.007636 0.258933 O\n0.817801 0.492364 0.741067 O\n0.682199 0.507636 0.241067 O\n0.682199 0.992364 0.758933 O\n0.182199 0.992364 0.741067 O\n0.182199 0.507636 0.258933 O\n0.317801 0.492364 0.758933 O\n0.317801 0.007636 0.241067 O\n0.583340 0.338225 0.409538 O\n0.583340 0.161775 0.590462 O\n0.916660 0.838225 0.090462 O\n0.083340 0.338225 0.090462 O\n",
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{
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"structure_string": "Mo2 W2 S8\n1.0\n1.595544 -2.763564 0.000000\n1.595544 2.763564 0.000000\n0.000000 0.000000 35.838786\nMo W S\n2 2 8\ndirect\n0.000000 0.000000 0.093893 Mo\n0.000000 0.000000 0.469655 Mo\n0.333333 0.666667 0.281784 W\n0.333333 0.666667 0.657552 W\n0.000000 0.000000 0.325685 S\n0.000000 0.000000 0.701433 S\n0.333333 0.666667 0.050250 S\n0.333333 0.666667 0.426012 S\n0.333333 0.666667 0.137595 S\n0.333333 0.666667 0.513305 S\n0.000000 0.000000 0.237932 S\n0.000000 0.000000 0.613651 S\n",
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{
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"structure_string": "La6 Mn4 Sb6 O28\n1.0\n-3.817508 -6.611974 0.000091\n-3.817589 -2.204110 11.975216\n-7.634954 -0.000037 0.000065\nLa Mn Sb O\n6 4 6 28\ndirect\n0.999992 0.000005 0.500005 La\n0.500002 0.500007 0.999994 La\n0.500001 0.999995 0.000003 La\n0.000006 0.500003 0.499991 La\n0.499990 0.999990 0.500003 La\n0.000007 0.500002 0.999993 La\n0.499999 0.500000 0.500002 Mn\n0.000000 0.999999 0.000000 Mn\n0.250000 0.250007 0.250001 Mn\n0.750002 0.749994 0.750001 Mn\n0.749998 0.750007 0.249995 Sb\n0.250004 0.249991 0.750003 Sb\n0.249994 0.750008 0.749999 Sb\n0.750004 0.249992 0.250000 Sb\n0.249998 0.750009 0.249998 Sb\n0.750002 0.249992 0.750006 Sb\n0.192612 0.422178 0.192607 O\n0.692604 0.922181 0.692607 O\n0.307396 0.077816 0.307395 O\n0.807388 0.577825 0.807390 O\n0.039993 0.278198 0.039988 O\n0.539968 0.778209 0.539977 O\n0.641805 0.278197 0.039993 O\n0.141834 0.778209 0.539972 O\n0.039997 0.278195 0.641806 O\n0.539969 0.778208 0.141839 O\n0.460028 0.221790 0.460030 O\n0.960009 0.721803 0.960009 O\n0.858167 0.221791 0.460027 O\n0.358192 0.721803 0.960010 O\n0.460027 0.221790 0.858168 O\n0.960006 0.721806 0.358192 O\n0.323315 0.586629 0.323317 O\n0.823309 0.086631 0.823310 O\n0.766734 0.586631 0.323321 O\n0.266742 0.086635 0.823316 O\n0.323326 0.586631 0.766726 O\n0.823320 0.086632 0.266744 O\n0.176694 0.913368 0.176691 O\n0.676685 0.413372 0.676684 O\n0.733260 0.913364 0.176683 O\n0.233268 0.413370 0.676677 O\n0.176679 0.913365 0.733259 O\n0.676676 0.413373 0.233269 O\n",
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{
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