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{
"id": "mp-727207",
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"structure_string": "Si18 C8 N2 O36\n1.0\n6.693035 6.783592 0.000000\n-6.693035 6.783592 0.000000\n0.000000 5.178254 11.678131\nSi C N O\n18 8 2 36\ndirect\n0.833861 0.578314 0.108778 Si\n0.421686 0.166139 0.891222 Si\n0.832064 0.573851 0.357618 Si\n0.426149 0.167936 0.642382 Si\n0.074411 0.813840 0.322417 Si\n0.186160 0.925589 0.677583 Si\n0.292370 0.857751 0.069290 Si\n0.142249 0.707630 0.930710 Si\n0.259901 0.740099 0.500000 Si\n0.602707 0.812296 0.108138 Si\n0.187704 0.397293 0.891862 Si\n0.597070 0.809180 0.357464 Si\n0.190820 0.402930 0.642536 Si\n0.836416 0.050716 0.323349 Si\n0.949284 0.163584 0.676651 Si\n0.879962 0.268167 0.070372 Si\n0.731833 0.120038 0.929628 Si\n0.762598 0.237402 0.500000 Si\n0.244036 0.317624 0.341497 C\n0.682376 0.755964 0.658503 C\n0.360482 0.427281 0.303569 C\n0.572719 0.639518 0.696431 C\n0.397432 0.398345 0.195528 C\n0.601655 0.602568 0.804472 C\n0.247479 0.374761 0.203576 C\n0.625239 0.752521 0.796424 C\n0.141953 0.286976 0.295086 N\n0.713024 0.858047 0.704914 N\n0.812358 0.417844 0.093138 O\n0.582156 0.187642 0.906862 O\n0.969617 0.676972 0.004595 O\n0.323028 0.030383 0.995405 O\n0.684053 0.661446 0.106935 O\n0.338554 0.315947 0.893065 O\n0.868542 0.558125 0.229230 O\n0.441875 0.131458 0.770770 O\n0.973156 0.659271 0.366766 O\n0.340729 0.026844 0.633234 O\n0.801168 0.413956 0.451077 O\n0.586044 0.198832 0.548923 O\n0.685999 0.663076 0.385404 O\n0.336924 0.314001 0.614596 O\n0.166559 0.845078 0.188535 O\n0.154922 0.833441 0.811465 O\n0.186702 0.805050 0.397423 O\n0.194950 0.813298 0.602577 O\n0.971839 0.948447 0.336191 O\n0.051553 0.028161 0.663809 O\n0.236495 0.763505 0.000000 O\n0.441758 0.790458 0.093101 O\n0.209542 0.558242 0.906899 O\n0.220685 0.563935 0.549872 O\n0.436065 0.779315 0.450128 O\n0.700918 0.946555 0.002177 O\n0.053445 0.299082 0.997823 O\n0.584134 0.848950 0.227906 O\n0.151050 0.415866 0.772094 O\n0.682665 0.947413 0.369806 O\n0.052587 0.317335 0.630194 O\n0.865585 0.141564 0.189447 O\n0.858436 0.134415 0.810553 O\n0.823936 0.162079 0.398685 O\n0.837921 0.176064 0.601315 O\n0.788010 0.211990 0.000000 O\n",
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"updated_at": "2021-11-28T01:35:25.908000Z",
"spacegroup": 5
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{
"id": "mp-1195993",
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},
{
"id": "mp-24099",
"created_at": "2022-09-04T14:40:15.947963Z",
"structure_string": "K1 Cr1 H18 N6 Cl4 O8\n1.0\n9.463568 -3.568354 0.000000\n9.463568 3.568354 0.000000\n8.118076 0.000000 6.032338\nK Cr H N Cl O\n1 1 18 6 4 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.972850 0.202262 0.632917 H\n0.027150 0.367083 0.797738 H\n0.797738 0.027150 0.367083 H\n0.367083 0.797738 0.027150 H\n0.027150 0.797738 0.367083 H\n0.367083 0.027150 0.797738 H\n0.797738 0.367083 0.027150 H\n0.972850 0.632917 0.202262 H\n0.202262 0.972850 0.632917 H\n0.632917 0.202262 0.972850 H\n0.810350 0.810350 0.435946 H\n0.435946 0.810350 0.810350 H\n0.810350 0.435946 0.810350 H\n0.189650 0.564054 0.189650 H\n0.189650 0.189650 0.564054 H\n0.564054 0.189650 0.189650 H\n0.632917 0.972850 0.202262 H\n0.202262 0.632917 0.972850 H\n0.899168 0.327584 0.899168 N\n0.672416 0.100832 0.100832 N\n0.327584 0.899168 0.899168 N\n0.899168 0.899168 0.327584 N\n0.100832 0.672416 0.100832 N\n0.100832 0.100832 0.672416 N\n0.814860 0.814860 0.814860 Cl\n0.185140 0.185140 0.185140 Cl\n0.378148 0.378148 0.378148 Cl\n0.621852 0.621852 0.621852 Cl\n0.867352 0.867352 0.867352 O\n0.980114 0.314778 0.314778 O\n0.132648 0.132648 0.132648 O\n0.314778 0.314778 0.980114 O\n0.314778 0.980114 0.314778 O\n0.685222 0.019886 0.685222 O\n0.019886 0.685222 0.685222 O\n0.685222 0.685222 0.019886 O\n",
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{
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},
{
"id": "mp-1028217",
"created_at": "2022-09-04T14:45:26.434189Z",
"structure_string": "Mg14 Al1 Si1\n1.0\n6.236886 -0.075256 0.000000\n-3.183617 5.514186 0.000000\n0.000000 0.000000 10.185408\nMg Al Si\n14 1 1\ndirect\n0.169138 0.334569 0.625000 Mg\n0.168363 0.834181 0.625000 Mg\n0.669662 0.333662 0.125000 Mg\n0.666119 0.333791 0.625000 Mg\n0.669662 0.836000 0.125000 Mg\n0.666119 0.832327 0.625000 Mg\n0.328712 0.163868 0.365945 Mg\n0.328712 0.163868 0.884055 Mg\n0.328712 0.664845 0.365945 Mg\n0.328712 0.664845 0.884055 Mg\n0.836624 0.168312 0.373978 Mg\n0.836624 0.168312 0.876022 Mg\n0.838316 0.669158 0.371134 Mg\n0.838316 0.669158 0.878866 Mg\n0.161042 0.330521 0.125000 Al\n0.165166 0.832583 0.125000 Si\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:54.341000Z",
"spacegroup": 226
},
{
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"created_at": "2022-09-04T14:39:46.981527Z",
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}
]
}