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{
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{
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{
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"structure_string": "Rb7 Au5 O2\n1.0\n5.448295 0.000060 -1.623043\n-1.303863 8.149771 -4.376550\n-0.020873 -0.049407 9.884707\nRb Au O\n7 5 2\ndirect\n0.000000 0.500000 -0.000000 Rb\n0.499996 0.788627 -0.000002 Rb\n0.500004 0.211373 0.000002 Rb\n0.168092 0.391540 0.336189 Rb\n0.831908 0.608460 0.663811 Rb\n0.831913 0.055355 0.663816 Rb\n0.168087 0.944645 0.336184 Rb\n0.000000 0.000000 0.000000 Au\n0.350959 0.350941 0.701888 Au\n0.649041 0.649059 0.298112 Au\n0.688045 0.188050 0.376106 Au\n0.311955 0.811950 0.623895 Au\n0.000011 0.216538 0.000005 O\n-0.000010 0.783462 -0.000005 O\n",
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{
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"structure_string": "Sr4 Si10 N16\n1.0\n5.749045 0.000000 0.000000\n0.000000 6.867364 0.000000\n0.000000 0.000000 9.408426\nSr Si N\n4 10 16\ndirect\n0.500000 0.117160 0.867193 Sr\n0.000000 0.882840 0.367193 Sr\n0.500000 0.128392 0.500304 Sr\n0.000000 0.871607 0.000304 Sr\n0.252074 0.667103 0.683077 Si\n0.247926 0.332896 0.183077 Si\n0.747927 0.667103 0.683077 Si\n0.000000 0.054854 0.677356 Si\n0.752074 0.332896 0.183077 Si\n0.000000 0.419804 0.461027 Si\n0.500000 0.580195 0.961027 Si\n0.000000 0.401716 0.902180 Si\n0.500000 0.598283 0.402180 Si\n0.500000 0.945145 0.177356 Si\n0.250645 0.555740 0.511230 N\n0.248284 0.913473 0.671832 N\n0.251717 0.086526 0.171832 N\n0.751717 0.913473 0.671832 N\n0.748284 0.086526 0.171832 N\n0.249356 0.444259 0.011230 N\n0.750645 0.444259 0.011230 N\n0.500000 0.572941 0.771735 N\n0.000000 0.586592 0.773592 N\n0.500000 0.413407 0.273592 N\n0.000000 0.173725 0.838629 N\n0.500000 0.826274 0.338629 N\n0.000000 0.427058 0.271735 N\n0.000000 0.189499 0.521061 N\n0.749356 0.555740 0.511230 N\n0.500000 0.810501 0.021061 N\n",
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{
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"created_at": "2022-09-04T14:35:52.790493Z",
"updated_at": "2022-09-04T14:35:52.790517Z",
"structure_string": "Pb5 I2 F8\n1.0\n4.252751 -0.018546 18.741044\n2.083956 3.707203 18.741044\n-0.031859 -0.018546 19.217482\nPb I F\n5 2 8\ndirect\n0.005651 0.005650 0.005650 Pb\n0.388516 0.388514 0.388515 Pb\n0.475067 0.475064 0.475066 Pb\n0.191250 0.191249 0.191250 Pb\n0.919262 0.919257 0.919261 Pb\n0.761858 0.761854 0.761857 I\n0.626046 0.626043 0.626045 I\n0.146708 0.146707 0.146708 F\n0.242442 0.242441 0.242442 F\n0.342340 0.342338 0.342340 F\n0.517729 0.517726 0.517728 F\n0.879075 0.879070 0.879074 F\n0.047989 0.047989 0.047989 F\n0.694067 0.694063 0.694066 F\n0.828215 0.828211 0.828214 F\n",
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{
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"structure_string": "Sr5 Au2 O8\n1.0\n5.732194 0.000000 3.179943\n2.866096 5.911963 1.589971\n-0.001947 -0.000000 6.759934\nSr Au O\n5 2 8\ndirect\n0.527720 0.500000 0.944558 Sr\n0.972279 0.500000 0.055441 Sr\n0.972247 0.055506 0.500000 Sr\n0.527753 0.944494 0.499999 Sr\n0.250000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.756226 0.755439 0.755449 O\n0.267116 0.244560 0.244550 O\n0.488335 0.755439 0.244549 O\n0.488323 0.244560 0.755450 O\n0.011653 0.244560 0.755449 O\n0.011665 0.755439 0.244550 O\n0.743786 0.244560 0.244550 O\n0.232896 0.755439 0.755449 O\n",
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"structure_string": "Ge5 Te8 As2\n1.0\n2.108970 -3.652843 0.000000\n2.108970 3.652843 0.000000\n0.000000 -0.000000 27.169262\nGe Te As\n5 8 2\ndirect\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.260083 Ge\n0.333333 0.666667 0.129766 Ge\n0.333333 0.666667 0.739916 Ge\n0.666667 0.333333 0.870234 Ge\n0.333333 0.666667 0.323288 Te\n0.333333 0.666667 0.935318 Te\n0.666667 0.333333 0.676712 Te\n0.666667 0.333333 0.064682 Te\n-0.000000 -0.000000 0.805937 Te\n-0.000000 -0.000000 0.194063 Te\n0.333333 0.666667 0.551396 Te\n0.666667 0.333333 0.448604 Te\n-0.000000 -0.000000 0.607935 As\n-0.000000 -0.000000 0.392065 As\n",
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"structure_string": "Ca4 Si10 N16\n1.0\n5.636627 0.000000 0.000000\n-2.818313 6.693892 -2.710677\n0.000000 0.001639 9.748914\nCa Si N\n4 10 16\ndirect\n0.236822 0.002496 0.002714 Ca\n0.862892 0.218618 0.197717 Ca\n0.355727 0.218618 0.697717 Ca\n0.765674 0.002496 0.502713 Ca\n0.253939 0.115401 0.353478 Si\n0.861463 0.115401 0.853477 Si\n0.546958 0.511056 0.317522 Si\n0.964098 0.511056 0.817522 Si\n0.257539 0.508265 0.062904 Si\n0.250727 0.508265 0.562904 Si\n0.155336 0.724745 0.368203 Si\n0.569410 0.724745 0.868203 Si\n0.853559 0.711524 0.126058 Si\n0.857967 0.711524 0.626058 Si\n0.623993 0.973464 0.930199 N\n0.277681 0.589111 0.914972 N\n0.139927 0.257083 0.497343 N\n0.553780 0.590607 0.169284 N\n0.036827 0.590607 0.669284 N\n0.056133 0.607104 0.175718 N\n0.550972 0.607104 0.675718 N\n0.984995 0.962741 0.217879 N\n0.977749 0.962741 0.717879 N\n0.820603 0.668765 0.934973 N\n0.848164 0.668765 0.434974 N\n0.477060 0.261819 0.272931 N\n0.784760 0.261819 0.772931 N\n0.311432 0.589111 0.414972 N\n0.117156 0.257083 0.997343 N\n0.349473 0.973464 0.430199 N\n",
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{
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{
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"structure_string": "Ba4 Si10 N16\n1.0\n5.831452 0.000000 0.000000\n0.000000 7.019025 0.000000\n0.000000 0.000000 9.463898\nBa Si N\n4 10 16\ndirect\n0.500000 0.121599 0.132275 Ba\n0.000000 0.878402 0.632275 Ba\n0.500000 0.145553 0.499610 Ba\n0.000000 0.854448 -0.000390 Ba\n0.250944 0.663597 0.320856 Si\n0.249056 0.336404 0.820856 Si\n0.749056 0.663597 0.320856 Si\n0.000000 0.052316 0.322473 Si\n0.750944 0.336404 0.820856 Si\n0.000000 0.419330 0.539416 Si\n0.500000 0.580671 0.039416 Si\n0.000000 0.399555 0.103477 Si\n0.500000 0.600446 0.603477 Si\n0.500000 0.947685 0.822473 Si\n0.253245 0.553722 0.493232 N\n0.238405 0.905144 0.330370 N\n0.261595 0.094857 0.830371 N\n0.761594 0.905144 0.330370 N\n0.738405 0.094857 0.830371 N\n0.246755 0.446278 0.993232 N\n0.753245 0.446278 0.993232 N\n0.500000 0.580564 0.229574 N\n0.000000 0.576180 0.235412 N\n0.500000 0.423821 0.735413 N\n0.000000 0.175222 0.164723 N\n0.500000 0.824779 0.664724 N\n0.000000 0.419437 0.729575 N\n0.000000 0.198035 0.471165 N\n0.746755 0.553722 0.493232 N\n0.500000 0.801965 0.971165 N\n",
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"formula_full": "Ba4 Si10 N16",
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{
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}