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{
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"structure_string": "Cr16 Si8 Cl8 O28\n1.0\n12.957043 0.000000 0.000000\n0.000000 6.510104 0.000000\n0.000000 0.375577 10.639561\nCr Si Cl O\n16 8 8 28\ndirect\n0.232856 0.547787 0.921161 Cr\n0.113656 0.148400 0.594998 Cr\n0.967890 0.814353 0.408622 Cr\n0.128092 0.180276 0.102960 Cr\n0.627233 0.217727 0.613343 Cr\n0.542137 0.558373 0.813349 Cr\n0.871908 0.180276 0.602960 Cr\n0.362089 0.214719 0.615809 Cr\n0.275941 0.819577 0.421577 Cr\n0.637911 0.214719 0.115809 Cr\n0.032110 0.814353 0.908622 Cr\n0.767144 0.547787 0.421161 Cr\n0.724059 0.819577 0.921577 Cr\n0.457863 0.558373 0.313349 Cr\n0.886344 0.148400 0.094998 Cr\n0.372767 0.217727 0.113343 Cr\n0.739357 0.056875 0.355252 Si\n0.260643 0.056875 0.855252 Si\n0.504469 0.064625 0.872823 Si\n0.001412 0.321218 0.357019 Si\n0.239136 0.324014 0.364017 Si\n0.760864 0.324014 0.864017 Si\n0.495531 0.064625 0.372823 Si\n0.998588 0.321218 0.857019 Si\n0.116632 0.814676 0.233568 Cl\n0.875643 0.754522 0.060239 Cl\n0.124357 0.754522 0.560239 Cl\n0.627152 0.572804 0.211176 Cl\n0.616664 0.625638 0.547937 Cl\n0.383336 0.625638 0.047937 Cl\n0.883368 0.814676 0.733568 Cl\n0.372848 0.572804 0.711176 Cl\n0.000929 0.249543 0.712393 O\n0.506289 0.155166 0.014865 O\n0.192854 0.852682 0.891005 O\n0.737415 0.130015 0.967669 O\n0.075352 0.509868 0.890645 O\n0.771914 0.172879 0.222184 O\n0.119362 0.386024 0.396524 O\n0.574841 0.860000 0.855445 O\n0.539236 0.249176 0.771347 O\n0.252203 0.224248 0.970632 O\n0.019065 0.123312 0.961083 O\n0.493711 0.155166 0.514865 O\n0.460764 0.249176 0.271347 O\n0.244314 0.251593 0.220148 O\n0.313577 0.517835 0.393619 O\n0.747797 0.224248 0.470632 O\n0.228086 0.172879 0.722184 O\n0.262585 0.130015 0.467669 O\n0.686423 0.517835 0.893619 O\n0.924648 0.509868 0.390645 O\n0.999071 0.249543 0.212393 O\n0.980935 0.123312 0.461083 O\n0.425159 0.860000 0.355445 O\n0.807146 0.852682 0.391005 O\n0.755686 0.251593 0.720148 O\n0.615972 0.009337 0.334668 O\n0.384028 0.009337 0.834668 O\n0.880638 0.386024 0.896524 O\n",
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"formula_full": "Cr16 Si8 Cl8 O28",
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"spacegroup": 7
},
{
"id": "mp-1234861",
"created_at": "2022-09-04T14:47:05.225212Z",
"structure_string": "Ba4 Yb8 Mg1 Co4 O20\n1.0\n5.721964 -0.040931 -0.036395\n-0.051613 7.137646 0.220040\n-0.088609 0.360912 12.820253\nBa Yb Mg Co O\n4 8 1 4 20\ndirect\n0.275852 0.930096 0.896723 Ba\n0.766676 0.124057 0.115828 Ba\n0.766921 0.452191 0.609917 Ba\n0.251045 0.633372 0.412418 Ba\n0.267442 0.112715 0.577186 Yb\n0.753195 0.914002 0.419898 Yb\n0.784644 0.588863 0.905617 Yb\n0.275964 0.376748 0.012361 Yb\n0.276099 0.375401 0.778281 Yb\n0.702335 0.647535 0.220557 Yb\n0.769438 0.887172 0.698987 Yb\n0.244842 0.149064 0.311097 Yb\n0.256773 0.867428 0.170621 Mg\n0.268980 0.703928 0.658206 Co\n0.768540 0.328191 0.382811 Co\n0.774632 0.177815 0.834329 Co\n0.159820 0.512873 0.173723 Co\n0.264816 0.463542 0.605223 O\n0.747110 0.582223 0.408189 O\n0.774326 0.937383 0.897765 O\n0.256414 0.098875 0.085743 O\n0.989021 0.883568 0.266165 O\n0.538519 0.149286 0.730169 O\n0.934279 0.364530 0.250737 O\n0.502284 0.658784 0.764947 O\n0.998893 0.151431 0.728085 O\n0.495021 0.899660 0.281174 O\n0.043659 0.661544 0.767034 O\n0.396481 0.430137 0.251182 O\n0.386634 0.660281 0.088882 O\n0.000705 0.313234 0.902908 O\n0.523063 0.195159 0.441213 O\n0.040667 0.825255 0.574641 O\n0.003774 0.184642 0.448847 O\n0.490966 0.829679 0.572341 O\n0.943015 0.570829 0.074987 O\n0.557156 0.312211 0.908987 O\n",
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],
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"formula_full": "Ba4 Yb8 Mg1 Co4 O20",
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"updated_at": "2021-11-28T01:37:48.247000Z",
"spacegroup": 1
},
{
"id": "mp-29715",
"created_at": "2022-09-04T14:46:41.494144Z",
"structure_string": "Te2 W2 Br18\n1.0\n12.171273 0.000000 0.000000\n0.000000 7.112906 0.000000\n0.000000 2.409925 10.102377\nTe W Br\n2 2 18\ndirect\n0.250000 0.756993 0.468560 Te\n0.750000 0.243007 0.531440 Te\n0.250000 0.644545 0.853641 W\n0.750000 0.355455 0.146359 W\n0.606826 0.452528 0.305501 Br\n0.106826 0.547472 0.694499 Br\n0.393174 0.547472 0.694499 Br\n0.893174 0.452528 0.305501 Br\n0.750000 0.684989 0.011279 Br\n0.250000 0.315011 0.988721 Br\n0.750000 0.518970 0.651116 Br\n0.250000 0.481030 0.348884 Br\n0.750000 0.021469 0.315283 Br\n0.250000 0.978531 0.684717 Br\n0.898856 0.245308 0.025453 Br\n0.398856 0.754692 0.974547 Br\n0.101144 0.754692 0.974547 Br\n0.601144 0.245308 0.025453 Br\n0.906359 0.050532 0.664313 Br\n0.406359 0.949468 0.335687 Br\n0.093641 0.949468 0.335687 Br\n0.593641 0.050532 0.664313 Br\n",
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"elements": [
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"spacegroup": 11
},
{
"id": "mp-1245900",
"created_at": "2022-09-04T14:46:58.563044Z",
"structure_string": "Ti2 Ni8 N8\n1.0\n5.387035 0.261175 -0.306940\n2.260818 4.987903 0.077683\n1.100972 2.418599 7.036098\nTi Ni N\n2 8 8\ndirect\n0.734913 0.801644 0.775989 Ti\n0.265087 0.198356 0.224011 Ti\n0.678743 0.628037 0.189280 Ni\n0.321257 0.371963 0.810720 Ni\n0.799023 0.197270 0.928048 Ni\n0.200977 0.802730 0.071953 Ni\n0.750419 0.479035 0.548251 Ni\n0.249581 0.520965 0.451749 Ni\n0.219814 0.949604 0.627442 Ni\n0.780186 0.050396 0.372558 Ni\n0.029970 0.742480 0.599058 N\n0.970030 0.257520 0.400942 N\n0.870378 0.803253 0.013899 N\n0.129623 0.196747 0.986101 N\n0.561629 0.563945 0.759612 N\n0.438371 0.436055 0.240388 N\n0.592175 0.842602 0.356610 N\n0.407825 0.157398 0.643390 N\n",
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{
"id": "mp-1211267",
"created_at": "2022-09-04T14:46:57.311904Z",
"structure_string": "Mg2 C4 S4 N12 O28\n1.0\n7.345388 0.000000 0.000000\n0.000000 9.777942 0.000000\n0.000000 2.307114 11.893061\nMg C S N O\n2 4 4 12 28\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.447790 0.360968 0.766044 C\n0.552210 0.639032 0.233956 C\n0.947790 0.639032 0.733956 C\n0.052210 0.360968 0.266044 C\n0.431878 0.756198 0.878973 S\n0.568122 0.243802 0.121027 S\n0.931878 0.243802 0.621027 S\n0.068122 0.756198 0.378973 S\n0.298007 0.336171 0.831605 N\n0.701993 0.663829 0.168395 N\n0.798007 0.663829 0.668395 N\n0.201993 0.336171 0.331605 N\n0.110423 0.621422 0.686335 N\n0.889577 0.378578 0.313665 N\n0.610423 0.378578 0.813665 N\n0.389577 0.621422 0.186335 N\n0.435306 0.369823 0.652909 N\n0.564694 0.630177 0.347091 N\n0.935306 0.630177 0.847091 N\n0.064694 0.369823 0.152909 N\n0.370438 0.911245 0.845312 O\n0.629562 0.088755 0.154688 O\n0.870438 0.088755 0.654688 O\n0.129562 0.911245 0.345312 O\n0.287034 0.673449 0.951134 O\n0.712966 0.326551 0.048866 O\n0.787034 0.326551 0.548866 O\n0.212966 0.673449 0.451134 O\n0.086791 0.939040 0.852901 O\n0.913209 0.060960 0.147099 O\n0.586791 0.060960 0.647099 O\n0.413209 0.939040 0.352901 O\n0.437473 0.698547 0.774886 O\n0.562527 0.301453 0.225114 O\n0.937473 0.301453 0.725114 O\n0.062527 0.698547 0.274886 O\n0.106997 0.245088 0.565408 O\n0.893003 0.754912 0.434592 O\n0.606997 0.754912 0.934592 O\n0.393003 0.245088 0.065408 O\n0.724121 0.025145 0.005880 O\n0.275879 0.974855 0.994120 O\n0.224121 0.974855 0.494120 O\n0.775879 0.025145 0.505880 O\n0.399425 0.791266 0.513825 O\n0.600575 0.208734 0.486175 O\n0.899425 0.208734 0.986175 O\n0.100575 0.791266 0.013825 O\n",
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{
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"structure_string": "Zn12 Ni8 Ge12 O48\n1.0\n-5.999643 5.999643 5.999643\n5.999643 -5.999643 5.999643\n5.999643 5.999643 -5.999643\nZn Ni Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.750000 0.125000 0.375000 Zn\n0.250000 0.375000 0.125000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.250000 0.375000 Zn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.420055 0.819935 0.792249 O\n0.872194 0.399880 0.079945 O\n0.100120 0.972314 0.680065 O\n0.527686 0.627806 0.707751 O\n0.680065 0.079945 0.707751 O\n0.627806 0.707751 0.527686 O\n0.627806 0.420055 0.100120 O\n0.707751 0.527686 0.627806 O\n0.819935 0.527686 0.399880 O\n0.972314 0.792249 0.872194 O\n0.792249 0.872194 0.972314 O\n0.707751 0.680065 0.079945 O\n0.420055 0.100120 0.627806 O\n0.399880 0.819935 0.527686 O\n0.079945 0.707751 0.680065 O\n0.100120 0.627806 0.420055 O\n0.527686 0.399880 0.819935 O\n0.079945 0.872194 0.399880 O\n0.972314 0.680065 0.100120 O\n0.180065 0.472314 0.600120 O\n0.680065 0.100120 0.972314 O\n0.792249 0.420055 0.819935 O\n0.399880 0.079945 0.872194 O\n0.872194 0.972314 0.792249 O\n0.579945 0.180065 0.207751 O\n0.127806 0.600120 0.920055 O\n0.899880 0.027686 0.319935 O\n0.472314 0.372194 0.292249 O\n0.319935 0.920055 0.292249 O\n0.372194 0.292249 0.472314 O\n0.372194 0.579945 0.899880 O\n0.292249 0.472314 0.372194 O\n0.127806 0.027686 0.207751 O\n0.600120 0.920055 0.127806 O\n0.207751 0.579945 0.180065 O\n0.180065 0.207751 0.579945 O\n0.319935 0.899880 0.027686 O\n0.027686 0.319935 0.899880 O\n0.920055 0.127806 0.600120 O\n0.472314 0.600120 0.180065 O\n0.899880 0.372194 0.579945 O\n0.920055 0.292249 0.319935 O\n0.600120 0.180065 0.472314 O\n0.579945 0.899880 0.372194 O\n0.292249 0.319935 0.920055 O\n0.207751 0.127806 0.027686 O\n0.027686 0.207751 0.127806 O\n0.819935 0.792249 0.420055 O\n",
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{
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"structure_string": "K2 Rb1 Eu1 V2 O8\n1.0\n3.059286 -5.298840 0.000000\n3.059286 5.298840 0.000000\n0.000000 0.000000 7.912327\nK Rb Eu V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.702698 K\n0.666667 0.333333 0.297302 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Eu\n0.333333 0.666667 0.249686 V\n0.666667 0.333333 0.750314 V\n0.333333 0.666667 0.035941 O\n0.666667 0.333333 0.964059 O\n0.176630 0.823370 0.325063 O\n0.823370 0.176630 0.674937 O\n0.176630 0.353260 0.325063 O\n0.823370 0.646740 0.674937 O\n0.646740 0.823370 0.325063 O\n0.353260 0.176630 0.674937 O\n",
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