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{
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{
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"structure_string": "Ba2 Y8 Si10 O34\n1.0\n20.029542 0.000000 0.000000\n0.000000 5.595465 0.000000\n0.000000 1.995077 6.656800\nBa Y Si O\n2 8 10 34\ndirect\n0.750000 0.755763 0.809599 Ba\n0.250000 0.244237 0.190401 Ba\n0.538775 0.698240 0.117459 Y\n0.038775 0.301760 0.882541 Y\n0.461225 0.301760 0.882541 Y\n0.961225 0.698240 0.117459 Y\n0.658167 0.352308 0.481805 Y\n0.158167 0.647692 0.518195 Y\n0.341833 0.647692 0.518195 Y\n0.841833 0.352308 0.481805 Y\n0.750000 0.936572 0.280987 Si\n0.250000 0.063428 0.719013 Si\n0.635742 0.228662 0.007955 Si\n0.135742 0.771338 0.992045 Si\n0.364258 0.771338 0.992045 Si\n0.864258 0.228662 0.007955 Si\n0.560736 0.803839 0.594795 Si\n0.060736 0.196161 0.405205 Si\n0.439264 0.196161 0.405205 Si\n0.939264 0.803839 0.594795 Si\n0.750000 0.132926 0.416357 O\n0.250000 0.867074 0.583643 O\n0.750000 0.644060 0.417749 O\n0.250000 0.355940 0.582251 O\n0.683918 0.983021 0.130585 O\n0.183918 0.016979 0.869415 O\n0.316082 0.016979 0.869415 O\n0.816082 0.983021 0.130585 O\n0.673280 0.361852 0.797100 O\n0.173280 0.638148 0.202900 O\n0.326720 0.638148 0.202900 O\n0.826720 0.361852 0.797100 O\n0.563574 0.102019 0.983285 O\n0.063574 0.897981 0.016715 O\n0.436426 0.897981 0.016715 O\n0.936426 0.102019 0.983285 O\n0.629476 0.420366 0.148503 O\n0.129476 0.579634 0.851497 O\n0.370524 0.579634 0.851497 O\n0.870524 0.420366 0.148503 O\n0.627828 0.958075 0.614921 O\n0.127828 0.041925 0.385079 O\n0.372172 0.041925 0.385079 O\n0.872172 0.958075 0.614921 O\n0.534218 0.625476 0.812462 O\n0.034218 0.374524 0.187538 O\n0.465782 0.374524 0.187538 O\n0.965782 0.625476 0.812462 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.573327 0.631278 0.440240 O\n0.073327 0.368722 0.559760 O\n0.426673 0.368722 0.559760 O\n0.926673 0.631278 0.440240 O\n",
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"formula_full": "Ba2 Y8 Si10 O34",
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},
{
"id": "mp-560478",
"created_at": "2022-09-04T14:39:33.863809Z",
"structure_string": "Ba2 Y4 Si6 O20\n1.0\n12.357968 0.000000 0.000000\n0.000000 5.474045 0.000000\n0.000000 1.953505 6.654710\nBa Y Si O\n2 4 6 20\ndirect\n0.750000 0.762780 0.984840 Ba\n0.250000 0.237220 0.015160 Ba\n0.598652 0.158828 0.315426 Y\n0.901348 0.158828 0.315426 Y\n0.098652 0.841172 0.684574 Y\n0.401348 0.841172 0.684574 Y\n0.061720 0.695656 0.214202 Si\n0.250000 0.418642 0.488229 Si\n0.750000 0.581358 0.511771 Si\n0.438280 0.695656 0.214202 Si\n0.561720 0.304344 0.785798 Si\n0.938280 0.304344 0.785798 Si\n0.449744 0.897457 0.351711 O\n0.143400 0.454051 0.338514 O\n0.856600 0.545949 0.661486 O\n0.356600 0.454051 0.338514 O\n0.377580 0.836035 0.003472 O\n0.877580 0.163965 0.996528 O\n0.053652 0.434821 0.808057 O\n0.949744 0.102543 0.648289 O\n0.550256 0.102543 0.648289 O\n0.250000 0.626956 0.616540 O\n0.122420 0.836035 0.003472 O\n0.553652 0.565179 0.191943 O\n0.250000 0.124973 0.632926 O\n0.643400 0.545949 0.661486 O\n0.750000 0.875027 0.367074 O\n0.946348 0.565179 0.191943 O\n0.750000 0.373044 0.383460 O\n0.446348 0.434821 0.808057 O\n0.622420 0.163965 0.996528 O\n0.050256 0.897457 0.351711 O\n",
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"formula_full": "Ba2 Y4 Si6 O20",
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},
{
"id": "mp-1190381",
"created_at": "2022-09-04T14:45:58.314231Z",
"structure_string": "Ba2 V2 Si4 O14\n1.0\n0.000000 0.000000 5.427484\n7.190058 0.000000 0.000000\n0.000000 7.750715 -2.713742\nBa V Si O\n2 2 4 14\ndirect\n0.810320 0.750000 0.587437 Ba\n0.222883 0.250000 0.412563 Ba\n0.117498 0.750000 0.212258 V\n0.905240 0.250000 0.787742 V\n0.411380 0.523947 0.793064 Si\n0.618317 0.476053 0.206936 Si\n0.411380 0.976053 0.793064 Si\n0.618317 0.023947 0.206936 Si\n0.118654 0.438036 0.708072 O\n0.410582 0.561964 0.291928 O\n0.118654 0.061964 0.708072 O\n0.410582 0.938036 0.291928 O\n0.517175 0.500000 0.000000 O\n0.517175 0.000000 0.000000 O\n0.997684 0.750000 0.000746 O\n0.996937 0.250000 0.999254 O\n0.383127 0.750000 0.739738 O\n0.643389 0.250000 0.260262 O\n0.612567 0.439099 0.701781 O\n0.910786 0.560901 0.298219 O\n0.612567 0.060901 0.701781 O\n0.910786 0.939099 0.298219 O\n",
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{
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"structure_string": "Ba4 V2 Si4 O16\n1.0\n8.604984 0.000000 0.000000\n0.000000 8.604984 0.000000\n0.000000 0.000000 5.332793\nBa V Si O\n4 2 4 16\ndirect\n0.171665 0.671665 0.995654 Ba\n0.671665 0.828335 0.995654 Ba\n0.328335 0.171665 0.995654 Ba\n0.828335 0.328335 0.995654 Ba\n0.500000 0.500000 0.538654 V\n0.000000 0.000000 0.538654 V\n0.370527 0.870527 0.519561 Si\n0.870527 0.629473 0.519561 Si\n0.129473 0.370527 0.519561 Si\n0.629473 0.129473 0.519561 Si\n0.500000 0.500000 0.225592 O\n0.000000 0.000000 0.225592 O\n0.793574 0.077399 0.652851 O\n0.206426 0.922601 0.652851 O\n0.922601 0.793574 0.652851 O\n0.077399 0.206426 0.652851 O\n0.422601 0.706426 0.652851 O\n0.706426 0.577399 0.652851 O\n0.293574 0.422601 0.652851 O\n0.577399 0.293574 0.652851 O\n0.500000 0.000000 0.631208 O\n0.000000 0.500000 0.631208 O\n0.629185 0.129185 0.217706 O\n0.129185 0.370815 0.217706 O\n0.870815 0.629185 0.217706 O\n0.370815 0.870815 0.217706 O\n",
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{
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"structure_string": "Ba4 V4 Si8 O28\n1.0\n6.342023 -0.009583 4.393121\n-1.745181 6.097185 4.393122\n-4.611309 -6.106759 6.643681\nBa V Si O\n4 4 8 28\ndirect\n0.500001 0.999999 0.750000 Ba\n0.999999 0.500001 0.250000 Ba\n0.999999 0.500001 0.750000 Ba\n0.500001 0.999999 0.250000 Ba\n0.842171 0.842171 0.500000 V\n0.657823 0.657823 0.000001 V\n0.342131 0.342131 0.000000 V\n0.157868 0.157868 0.500000 V\n0.492416 0.507587 0.723972 Si\n0.992413 0.007584 0.223972 Si\n0.223971 0.776032 0.007585 Si\n0.723968 0.276029 0.507585 Si\n0.276029 0.723968 0.492415 Si\n0.776032 0.223972 0.992415 Si\n0.007584 0.992413 0.776028 Si\n0.507587 0.492416 0.276028 Si\n0.200716 0.200716 0.000000 O\n0.700699 0.700699 0.500000 O\n0.299285 0.299285 0.500000 O\n0.799304 0.799304 0.000000 O\n0.369342 0.630656 0.360069 O\n0.869344 0.130658 0.860069 O\n0.130658 0.869344 0.139931 O\n0.630656 0.369342 0.639931 O\n0.860069 0.139934 0.130658 O\n0.360066 0.639932 0.630658 O\n0.639932 0.360066 0.369342 O\n0.139934 0.860068 0.869342 O\n0.308311 0.928095 0.487912 O\n0.808312 0.428090 0.987912 O\n0.571906 0.191689 0.987913 O\n0.071910 0.691688 0.487913 O\n0.369710 0.393883 0.809891 O\n0.869712 0.893886 0.309890 O\n0.130291 0.106117 0.690109 O\n0.630288 0.606114 0.190110 O\n0.928094 0.308311 0.512087 O\n0.428090 0.808312 0.012087 O\n0.106117 0.130290 0.309892 O\n0.606114 0.630288 0.809890 O\n0.191689 0.571905 0.012088 O\n0.691688 0.071910 0.512088 O\n0.393883 0.369710 0.190109 O\n0.893886 0.869712 0.690110 O\n",
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{
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"created_at": "2022-09-04T14:44:59.394221Z",
"structure_string": "Ba2 U2 Si4 O16\n1.0\n2.867497 -8.395098 0.000000\n2.867497 8.395098 0.000000\n0.000000 0.000000 7.705894\nBa U Si O\n2 2 4 16\ndirect\n0.211001 0.788999 0.750000 Ba\n0.788999 0.211001 0.250000 Ba\n0.877989 0.122011 0.750000 U\n0.122011 0.877989 0.250000 U\n0.405491 0.594509 0.040375 Si\n0.594509 0.405491 0.959625 Si\n0.405491 0.594509 0.459625 Si\n0.594509 0.405491 0.540375 Si\n0.591847 0.870008 0.537519 O\n0.012883 0.987117 0.250000 O\n0.408153 0.129992 0.037519 O\n0.987117 0.012883 0.750000 O\n0.129992 0.408153 0.962481 O\n0.591847 0.870008 0.962481 O\n0.870008 0.591847 0.037519 O\n0.129992 0.408153 0.537519 O\n0.870008 0.591847 0.462481 O\n0.767016 0.232984 0.750000 O\n0.606175 0.393825 0.750000 O\n0.500000 0.500000 0.500000 O\n0.408153 0.129992 0.462481 O\n0.232984 0.767016 0.250000 O\n0.500000 0.500000 0.000000 O\n0.393825 0.606175 0.250000 O\n",
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{
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"structure_string": "Ba2 Ti2 Si6 O18\n1.0\n3.362088 -5.823307 0.000000\n3.362088 5.823307 0.000000\n0.000000 0.000000 9.899976\nBa Ti Si O\n2 2 6 18\ndirect\n0.666667 0.333333 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Ti\n0.333333 0.666667 0.000000 Ti\n0.217844 0.929115 0.250000 Si\n0.217844 0.288728 0.750000 Si\n0.711272 0.929115 0.750000 Si\n0.711272 0.782156 0.250000 Si\n0.070885 0.288728 0.250000 Si\n0.070885 0.782156 0.750000 Si\n0.088235 0.658442 0.613088 O\n0.341558 0.911765 0.386912 O\n0.570208 0.911765 0.613088 O\n0.341558 0.429792 0.886912 O\n0.570208 0.911765 0.886912 O\n0.088235 0.658442 0.886912 O\n0.570208 0.658442 0.113088 O\n0.088235 0.429792 0.113088 O\n0.254431 0.192781 0.250000 O\n0.938351 0.745569 0.250000 O\n0.807219 0.061649 0.250000 O\n0.807219 0.745569 0.750000 O\n0.570208 0.658442 0.386912 O\n0.254431 0.061649 0.750000 O\n0.938351 0.192781 0.750000 O\n0.088235 0.429792 0.386912 O\n0.341558 0.911765 0.113088 O\n0.341558 0.429792 0.613088 O\n",
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