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{
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{
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"structure_string": "Sr10 Mg5 Mo1 W4 O30\n1.0\n5.660833 0.000000 0.000000\n-2.812248 -4.925698 0.000000\n-2.792739 1.488399 -23.142495\nSr Mg Mo W O\n10 5 1 4 30\ndirect\n0.499402 0.249484 0.749827 Sr\n0.699438 0.849509 0.549817 Sr\n0.899446 0.449506 0.349811 Sr\n0.099212 0.049417 0.149167 Sr\n0.299830 0.649857 0.950431 Sr\n0.900788 0.950583 0.850833 Sr\n0.100554 0.550494 0.650189 Sr\n0.300562 0.150491 0.450183 Sr\n0.500598 0.750516 0.250173 Sr\n0.700170 0.350143 0.049569 Sr\n0.599916 0.300011 0.899792 Mg\n0.800014 0.900004 0.700067 Mg\n0.000000 0.500000 0.500000 Mg\n0.199986 0.099996 0.299933 Mg\n0.400084 0.699989 0.100208 Mg\n0.000000 0.000000 0.000000 Mo\n0.200011 0.599979 0.799945 W\n0.399928 0.199951 0.599960 W\n0.600072 0.800049 0.400040 W\n0.799989 0.400021 0.200055 W\n0.014147 0.251779 0.754775 O\n0.214058 0.851658 0.554691 O\n0.414018 0.451537 0.354662 O\n0.613927 0.051398 0.154577 O\n0.814390 0.652461 0.954780 O\n0.386073 0.948602 0.845423 O\n0.585982 0.548463 0.645338 O\n0.785942 0.148342 0.445309 O\n0.985853 0.748221 0.245225 O\n0.185610 0.347539 0.045220 O\n0.138241 0.040449 0.655560 O\n0.338341 0.640484 0.455514 O\n0.538527 0.240608 0.255461 O\n0.738499 0.840766 0.055262 O\n0.938340 0.440506 0.855699 O\n0.261501 0.159234 0.944738 O\n0.461473 0.759392 0.744539 O\n0.661659 0.359516 0.544486 O\n0.861759 0.959551 0.344440 O\n0.061660 0.559494 0.144301 O\n0.641117 0.090983 0.644518 O\n0.841071 0.691029 0.444494 O\n0.040997 0.291079 0.244421 O\n0.240313 0.891012 0.044376 O\n0.441189 0.491022 0.844607 O\n0.759687 0.108988 0.955624 O\n0.959003 0.708921 0.755579 O\n0.158929 0.308971 0.555506 O\n0.358883 0.909017 0.355482 O\n0.558811 0.508978 0.155393 O\n",
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"formula_full": "Sr10 Mg5 Mo1 W4 O30",
"formula_reduced": "Sr10Mg5Mo(W2O15)2",
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"spacegroup": 2
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{
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"structure_string": "Sr2 H1 N1\n1.0\n6.440039 -1.912926 0.000000\n6.440039 1.912926 0.000000\n5.871831 0.000000 3.264199\nSr H N\n2 1 1\ndirect\n0.761433 0.761433 0.761433 Sr\n0.238567 0.238567 0.238567 Sr\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 N\n",
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"formula_full": "Sr2 H1 N1",
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{
"id": "mp-1345209",
"created_at": "2022-09-04T14:39:16.988387Z",
"structure_string": "Mg4 Fe8 O16\n1.0\n5.129874 0.000000 0.000000\n0.000000 5.895949 0.000000\n0.000000 0.000000 10.329059\nMg Fe O\n4 8 16\ndirect\n0.853412 0.000000 0.500000 Mg\n0.146588 0.500000 0.000000 Mg\n0.515957 0.000000 0.000000 Mg\n0.484043 0.500000 0.500000 Mg\n0.509461 0.500000 0.230265 Fe\n0.509461 0.500000 0.769735 Fe\n0.490539 0.000000 0.269735 Fe\n0.490539 0.000000 0.730265 Fe\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.750000 Fe\n0.000000 0.750000 0.250000 Fe\n0.000000 0.250000 0.750000 Fe\n0.855219 0.500000 0.141380 O\n0.855219 0.500000 0.858620 O\n0.144781 0.000000 0.358620 O\n0.144781 0.000000 0.641380 O\n0.197687 0.500000 0.348969 O\n0.197687 0.500000 0.651031 O\n0.802313 0.000000 0.151031 O\n0.802313 0.000000 0.848969 O\n0.667833 0.253867 0.365486 O\n0.667833 0.746133 0.634514 O\n0.332167 0.753867 0.134514 O\n0.332167 0.246133 0.865486 O\n0.332167 0.246133 0.134514 O\n0.332167 0.753867 0.865486 O\n0.667833 0.746133 0.365486 O\n0.667833 0.253867 0.634514 O\n",
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"formula_full": "Mg4 Fe8 O16",
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"formula_anonymous": "AB2C4",
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{
"id": "mp-29291",
"created_at": "2022-09-04T14:39:17.008134Z",
"structure_string": "I8 O12 F24\n1.0\n8.746055 0.000000 0.000000\n0.000000 9.584731 0.000000\n0.000000 4.490344 9.029779\nI O F\n8 12 24\ndirect\n0.273629 0.421225 0.928907 I\n0.773629 0.078775 0.071093 I\n0.726371 0.578775 0.071093 I\n0.226371 0.921225 0.928907 I\n0.401673 0.335216 0.314441 I\n0.901673 0.164784 0.685559 I\n0.598327 0.664784 0.685559 I\n0.098327 0.835216 0.314441 I\n0.484974 0.487112 0.774401 O\n0.984974 0.012888 0.225599 O\n0.515026 0.512888 0.225599 O\n0.015026 0.987112 0.774401 O\n0.381522 0.290453 0.156733 O\n0.881522 0.209547 0.843267 O\n0.618478 0.709547 0.843267 O\n0.118478 0.790453 0.156733 O\n0.722742 0.400902 0.060144 O\n0.222742 0.099098 0.939856 O\n0.277258 0.599098 0.939856 O\n0.777258 0.900902 0.060144 O\n0.571354 0.203388 0.387846 F\n0.591694 0.646220 0.508087 F\n0.908306 0.146220 0.508087 F\n0.408306 0.353780 0.491913 F\n0.215488 0.658126 0.429257 F\n0.091694 0.853780 0.491913 F\n0.784512 0.341874 0.570743 F\n0.284512 0.158126 0.429257 F\n0.283680 0.944373 0.278640 F\n0.783680 0.555627 0.721360 F\n0.716320 0.055627 0.721360 F\n0.216320 0.444373 0.278640 F\n0.343714 0.995987 0.751596 F\n0.843714 0.504013 0.248404 F\n0.656286 0.004013 0.248404 F\n0.156286 0.495987 0.751596 F\n0.415630 0.848404 0.031357 F\n0.915630 0.651596 0.968643 F\n0.584370 0.151596 0.968643 F\n0.084370 0.348404 0.031357 F\n0.428646 0.796612 0.612154 F\n0.928646 0.703388 0.387846 F\n0.715488 0.841874 0.570743 F\n0.071354 0.296612 0.612154 F\n",
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{
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"structure_string": "H12 Cl4 O20\n1.0\n6.320798 0.000000 0.000000\n0.000000 7.534787 0.000000\n0.000000 0.000000 8.704574\nH Cl O\n12 4 20\ndirect\n0.250000 0.537466 0.181575 H\n0.250000 0.962534 0.681575 H\n0.750000 0.462534 0.818425 H\n0.750000 0.037466 0.318425 H\n0.250000 0.737172 0.758021 H\n0.250000 0.907849 0.878380 H\n0.250000 0.762828 0.258021 H\n0.250000 0.592151 0.378380 H\n0.750000 0.092151 0.121620 H\n0.750000 0.262828 0.241979 H\n0.750000 0.407849 0.621620 H\n0.750000 0.237172 0.741979 H\n0.250000 0.312130 0.948392 Cl\n0.250000 0.187870 0.448392 Cl\n0.750000 0.687870 0.051608 Cl\n0.750000 0.812130 0.551608 Cl\n0.250000 0.462378 0.844613 O\n0.250000 0.037622 0.344613 O\n0.750000 0.537622 0.155387 O\n0.750000 0.962378 0.655387 O\n0.250000 0.375477 0.111068 O\n0.250000 0.124523 0.611068 O\n0.750000 0.624523 0.888932 O\n0.750000 0.875477 0.388932 O\n0.062053 0.203381 0.928574 O\n0.437947 0.296619 0.428574 O\n0.562053 0.796619 0.071426 O\n0.937947 0.703381 0.571426 O\n0.937947 0.796619 0.071426 O\n0.562053 0.703381 0.571426 O\n0.437947 0.203381 0.928574 O\n0.062053 0.296619 0.428574 O\n0.250000 0.865018 0.772498 O\n0.250000 0.634982 0.272498 O\n0.750000 0.134982 0.227502 O\n0.750000 0.365018 0.727502 O\n",
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{
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"structure_string": "K1 Cl1 O3\n1.0\n3.469472 -2.912008 0.000000\n3.469472 2.912008 0.000000\n1.025356 0.000000 4.411992\nK Cl O\n1 1 3\ndirect\n0.981463 0.981463 0.981463 K\n0.489136 0.489136 0.489136 Cl\n0.412752 0.828861 0.412752 O\n0.412752 0.412752 0.828861 O\n0.828861 0.412752 0.412752 O\n",
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{
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{
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{
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