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{
"id": "mp-1234723",
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"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.668153 -0.118940 -0.144292\n4.406219 -7.599999 0.018964\n4.456762 -2.498821 -7.144173\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.749526 0.379310 0.729077 Mg\n0.068242 0.645643 0.644420 Fe\n0.434336 0.862923 0.855049 Fe\n0.934418 0.356986 0.347884 Fe\n0.035098 0.968656 0.012425 Co\n0.496267 0.498222 0.487990 Co\n0.566881 0.137142 0.148898 Sb\n0.223888 0.259568 0.562934 P\n0.246575 0.946733 0.264023 P\n0.261273 0.542678 0.939839 P\n0.749509 0.458385 0.042313 P\n0.741510 0.046648 0.752125 P\n0.744966 0.766689 0.458085 P\n0.078285 0.094776 0.346630 O\n0.104324 0.473487 0.103638 O\n0.026493 0.332553 0.550666 O\n0.222404 0.094373 0.744141 O\n0.384914 0.216593 0.371481 O\n0.269418 0.411405 0.558333 O\n0.225252 0.940082 0.103882 O\n0.279369 0.747807 0.411001 O\n0.584798 0.595847 0.973768 O\n0.285729 0.558395 0.744714 O\n0.771006 0.251504 0.062570 O\n0.553938 0.020086 0.834921 O\n0.445514 0.975367 0.193029 O\n0.239416 0.729537 0.936060 O\n0.714093 0.451326 0.236977 O\n0.469863 0.381396 0.952900 O\n0.723960 0.247976 0.602587 O\n0.774169 0.080014 0.901600 O\n0.715150 0.593435 0.479781 O\n0.565093 0.875641 0.579493 O\n0.778803 0.904168 0.240688 O\n0.929386 0.706425 0.487439 O\n0.942422 0.478371 0.888648 O\n0.921527 0.883915 0.699991 O\n",
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},
{
"id": "mp-1192488",
"created_at": "2022-09-04T14:47:01.344487Z",
"structure_string": "Al4 Te4 Cl14\n1.0\n8.664986 -0.715187 -0.285600\n-0.897578 11.267063 -0.321685\n-0.415645 -0.363588 12.463258\nAl Te Cl\n4 4 14\ndirect\n0.614896 0.835020 0.700536 Al\n0.385104 0.164980 0.299464 Al\n0.805857 0.411893 0.845395 Al\n0.194143 0.588107 0.154605 Al\n0.930449 0.896895 0.960145 Te\n0.069551 0.103105 0.039855 Te\n0.860863 0.453377 0.469914 Te\n0.139137 0.546623 0.530086 Te\n0.607951 0.827704 0.880875 Cl\n0.392049 0.172296 0.119125 Cl\n0.857891 0.882181 0.671613 Cl\n0.142109 0.117819 0.328387 Cl\n0.528710 0.654617 0.635090 Cl\n0.471290 0.345383 0.364910 Cl\n0.471674 0.960544 0.652339 Cl\n0.528326 0.039456 0.347661 Cl\n0.793595 0.371433 0.006248 Cl\n0.206405 0.628567 0.993752 Cl\n0.760339 0.274009 0.725401 Cl\n0.239661 0.725991 0.274599 Cl\n0.863094 0.587927 0.804147 Cl\n0.136906 0.412073 0.195853 Cl\n",
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"formula_full": "Al4 Te4 Cl14",
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{
"id": "mp-1222865",
"created_at": "2022-09-04T14:47:09.289327Z",
"structure_string": "La1 Nd1 Co10\n1.0\n3.978103 0.000000 0.000000\n0.000000 5.021129 0.000000\n0.000000 0.000000 8.705546\nLa Nd Co\n1 1 10\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.332951 Co\n0.000000 0.500000 0.833061 Co\n0.000000 0.500000 0.166939 Co\n0.000000 0.000000 0.667049 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.251476 0.251539 Co\n0.500000 0.748524 0.748461 Co\n0.500000 0.748524 0.251539 Co\n0.500000 0.251476 0.748461 Co\n",
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{
"id": "mp-1036978",
"created_at": "2022-09-04T14:46:57.398137Z",
"structure_string": "Ba1 Mg30 Co1 O32\n1.0\n8.644931 0.000000 0.000000\n0.000000 8.644931 0.000000\n0.000000 0.000000 8.670596\nBa Mg Co O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Ba\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\n0.242668 0.242668 0.000000 Mg\n0.242668 0.757332 0.000000 Mg\n0.757332 0.242668 0.000000 Mg\n0.757332 0.757332 0.000000 Mg\n0.249106 0.249106 0.500000 Mg\n0.249106 0.750894 0.500000 Mg\n0.750894 0.249106 0.500000 Mg\n0.750894 0.750894 0.500000 Mg\n0.000000 0.248023 0.250857 Mg\n0.000000 0.751977 0.250857 Mg\n0.500000 0.242293 0.257658 Mg\n0.500000 0.757707 0.257658 Mg\n0.000000 0.248023 0.749143 Mg\n0.000000 0.751977 0.749143 Mg\n0.500000 0.242293 0.742342 Mg\n0.500000 0.757707 0.742342 Mg\n0.248023 0.000000 0.250857 Mg\n0.242293 0.500000 0.257658 Mg\n0.751977 0.000000 0.250857 Mg\n0.757707 0.500000 0.257658 Mg\n0.248023 0.000000 0.749143 Mg\n0.242293 0.500000 0.742342 Mg\n0.751977 0.000000 0.749143 Mg\n0.757707 0.500000 0.742342 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.258017 O\n0.000000 0.500000 0.255325 O\n0.500000 0.000000 0.255325 O\n0.500000 0.500000 0.278906 O\n0.000000 0.000000 0.741983 O\n0.000000 0.500000 0.744675 O\n0.500000 0.000000 0.744675 O\n0.500000 0.500000 0.721094 O\n0.250291 0.250291 0.248915 O\n0.250291 0.749709 0.248915 O\n0.749709 0.250291 0.248915 O\n0.749709 0.749709 0.248915 O\n0.250291 0.250291 0.751085 O\n0.250291 0.749709 0.751085 O\n0.749709 0.250291 0.751085 O\n0.749709 0.749709 0.751085 O\n0.000000 0.244665 0.000000 O\n0.000000 0.755335 0.000000 O\n0.500000 0.220863 0.000000 O\n0.500000 0.779137 0.000000 O\n0.000000 0.249376 0.500000 O\n0.000000 0.750624 0.500000 O\n0.500000 0.244500 0.500000 O\n0.500000 0.755500 0.500000 O\n0.244665 0.000000 0.000000 O\n0.220863 0.500000 0.000000 O\n0.755335 0.000000 0.000000 O\n0.779137 0.500000 0.000000 O\n0.249376 0.000000 0.500000 O\n0.244500 0.500000 0.500000 O\n0.750624 0.000000 0.500000 O\n0.755500 0.500000 0.500000 O\n",
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{
"id": "mp-1193648",
"created_at": "2022-09-04T14:47:02.071199Z",
"structure_string": "K8 C4 S12 O4\n1.0\n16.092962 0.000000 0.000000\n0.000000 6.616432 0.000000\n0.000000 6.148956 6.819268\nK C S O\n8 4 12 4\ndirect\n0.198718 0.041076 0.063863 K\n0.301282 0.041076 0.563863 K\n0.801282 0.958924 0.936137 K\n0.698718 0.958924 0.436137 K\n0.943424 0.902974 0.322415 K\n0.556576 0.902974 0.822415 K\n0.056576 0.097026 0.677585 K\n0.443424 0.097026 0.177585 K\n0.130351 0.369377 0.220781 C\n0.369649 0.369377 0.720781 C\n0.869649 0.630623 0.779219 C\n0.630351 0.630623 0.279219 C\n0.219928 0.524921 0.084762 S\n0.280072 0.524921 0.584762 S\n0.780072 0.475079 0.915238 S\n0.719928 0.475079 0.415238 S\n0.375055 0.022310 0.898689 S\n0.124945 0.022310 0.398689 S\n0.624945 0.977690 0.101311 S\n0.875055 0.977690 0.601311 S\n0.053088 0.596439 0.159110 S\n0.446912 0.596439 0.659110 S\n0.946912 0.403561 0.840890 S\n0.553088 0.403561 0.340890 S\n0.790076 0.686455 0.343966 O\n0.709924 0.686455 0.843966 O\n0.209924 0.313545 0.656034 O\n0.290076 0.313545 0.156034 O\n",
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{
"id": "mp-1192943",
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"structure_string": "Mg2 I4 O20\n1.0\n0.000000 0.000000 5.575193\n8.570217 0.944427 0.000000\n-0.701968 8.036697 0.000000\nMg I O\n2 4 20\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.309778 0.161966 0.944693 I\n0.809778 0.838034 0.555307 I\n0.690222 0.838034 0.055307 I\n0.190222 0.161966 0.444693 I\n0.400014 0.862848 0.948932 O\n0.900014 0.137152 0.551068 O\n0.599986 0.137152 0.051068 O\n0.099986 0.862848 0.448932 O\n0.410274 0.156823 0.724890 O\n0.910274 0.843177 0.775110 O\n0.589726 0.843177 0.275110 O\n0.089726 0.156823 0.224890 O\n0.304202 0.374589 0.963207 O\n0.804202 0.625411 0.536793 O\n0.695798 0.625411 0.036793 O\n0.195798 0.374589 0.463207 O\n0.131874 0.707987 0.096891 O\n0.631874 0.292013 0.403109 O\n0.868126 0.292013 0.903109 O\n0.368126 0.707987 0.596891 O\n0.119639 0.621924 0.767905 O\n0.619639 0.378076 0.732095 O\n0.880361 0.378076 0.232095 O\n0.380361 0.621924 0.267905 O\n",
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{
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{
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"structure_string": "Tl4 Fe4 S8 O32\n1.0\n-7.762878 4.481864 -0.000385\n5.175465 8.964097 -0.000024\n-0.000478 0.000302 -8.353200\nTl Fe S O\n4 4 8 32\ndirect\n0.999876 0.499697 0.499903 Tl\n0.500031 0.749709 0.499954 Tl\n0.000054 0.999477 0.499873 Tl\n0.500042 0.249661 0.499896 Tl\n0.999991 0.500168 0.999978 Fe\n0.500008 0.249777 0.999928 Fe\n0.500119 0.749732 0.000177 Fe\n0.999975 0.000322 0.999845 Fe\n0.166549 0.250087 0.793560 S\n0.666599 0.500010 0.793548 S\n0.166587 0.750009 0.793664 S\n0.666519 0.999997 0.793602 S\n0.333371 0.499971 0.206522 S\n0.833537 0.750038 0.206396 S\n0.333409 0.000038 0.206395 S\n0.833443 0.250071 0.206379 S\n0.166882 0.249942 0.618451 O\n0.666776 0.499978 0.618424 O\n0.166941 0.749783 0.618535 O\n0.666644 0.999870 0.618479 O\n0.333204 0.499841 0.381649 O\n0.833225 0.749832 0.381519 O\n0.333220 0.999978 0.381531 O\n0.833021 0.249833 0.381494 O\n0.094817 0.129529 0.853448 O\n0.594743 0.379652 0.853531 O\n0.094799 0.629493 0.853593 O\n0.594758 0.879660 0.853738 O\n0.081521 0.363982 0.853223 O\n0.581927 0.614143 0.853370 O\n0.081552 0.863965 0.853192 O\n0.581826 0.114154 0.853324 O\n0.405128 0.379592 0.146456 O\n0.905160 0.629485 0.146423 O\n0.405209 0.879660 0.146390 O\n0.905136 0.129524 0.146409 O\n0.322719 0.256619 0.853923 O\n0.822867 0.506586 0.853650 O\n0.322746 0.756507 0.854068 O\n0.822811 0.006703 0.853643 O\n0.418191 0.614094 0.146830 O\n0.918499 0.863965 0.146751 O\n0.418187 0.114150 0.146671 O\n0.918533 0.363996 0.146879 O\n0.177104 0.506694 0.146428 O\n0.677292 0.756576 0.146146 O\n0.177160 0.006748 0.146245 O\n0.677290 0.256703 0.145971 O\n",
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