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{
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{
"id": "mp-1179094",
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"structure_string": "Sr2 H4\n1.0\n2.045309 -3.585737 0.000000\n2.045309 3.585737 0.000000\n0.000000 0.000000 5.730837\nSr H\n2 4\ndirect\n0.337995 0.662005 0.750000 Sr\n0.662005 0.337995 0.250000 Sr\n0.668297 0.331703 0.750000 H\n0.331703 0.668297 0.250000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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{
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{
"id": "mp-643356",
"created_at": "2022-09-04T14:42:50.583928Z",
"structure_string": "Sr4 H8 Br8 O4\n1.0\n4.336146 0.000000 0.000000\n0.000000 9.351804 0.000000\n0.000000 0.000000 11.591264\nSr H Br O\n4 8 8 4\ndirect\n0.250000 0.386996 0.688744 Sr\n0.250000 0.113004 0.188744 Sr\n0.750000 0.613004 0.311256 Sr\n0.750000 0.886996 0.811256 Sr\n0.750000 0.306061 0.878654 H\n0.750000 0.193939 0.378654 H\n0.250000 0.693939 0.121346 H\n0.250000 0.806061 0.621346 H\n0.750000 0.472598 0.877879 H\n0.750000 0.027402 0.377879 H\n0.250000 0.527402 0.122121 H\n0.250000 0.972598 0.622121 H\n0.750000 0.613185 0.600552 Br\n0.750000 0.886815 0.100552 Br\n0.250000 0.386815 0.399448 Br\n0.250000 0.113185 0.899448 Br\n0.750000 0.153831 0.615904 Br\n0.750000 0.346169 0.115904 Br\n0.250000 0.846169 0.384096 Br\n0.250000 0.653831 0.884096 Br\n0.750000 0.389126 0.826468 O\n0.750000 0.110874 0.326468 O\n0.250000 0.610874 0.173532 O\n0.250000 0.889126 0.673532 O\n",
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"formula_full": "Sr4 H8 Br8 O4",
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"updated_at": "2021-11-28T01:35:53.040000Z",
"spacegroup": 62
},
{
"id": "mp-24479",
"created_at": "2022-09-04T14:39:12.911297Z",
"structure_string": "Sr2 H4 Br4 O14\n1.0\n3.896260 6.538074 0.000000\n-3.896260 6.538074 0.000000\n0.000000 6.145223 6.582520\nSr H Br O\n2 4 4 14\ndirect\n0.648566 0.351434 0.750000 Sr\n0.351434 0.648566 0.250000 Sr\n0.285206 0.782576 0.634733 H\n0.217424 0.714794 0.865267 H\n0.714794 0.217424 0.365267 H\n0.782576 0.285206 0.134733 H\n0.213897 0.170192 0.804536 Br\n0.829808 0.786103 0.695464 Br\n0.786103 0.829808 0.195464 Br\n0.170192 0.213897 0.304536 Br\n0.324116 0.675884 0.750000 O\n0.675884 0.324116 0.250000 O\n0.099128 0.276901 0.487058 O\n0.723099 0.900872 0.012942 O\n0.900872 0.723099 0.512942 O\n0.276901 0.099128 0.987058 O\n0.255193 0.933159 0.399768 O\n0.066841 0.744807 0.100232 O\n0.744807 0.066841 0.600232 O\n0.933159 0.255193 0.899768 O\n0.404012 0.310399 0.121918 O\n0.689601 0.595988 0.378082 O\n0.595988 0.689601 0.878082 O\n0.310399 0.404012 0.621918 O\n",
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"density": 3.5792742623427585,
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"volume": 335.36670557710266,
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"formula_full": "Sr2 H4 Br4 O14",
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"updated_at": "2021-11-28T01:34:29.007000Z",
"spacegroup": 15
},
{
"id": "mp-642662",
"created_at": "2022-09-04T14:45:29.974407Z",
"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.380569 0.000000 0.000000\n0.000000 9.249439 0.000000\n0.000000 0.000000 11.271828\nSr H Cl O\n4 8 8 4\ndirect\n0.250000 0.674648 0.502402 Sr\n0.250000 0.174648 0.997598 Sr\n0.750000 0.325352 0.497598 Sr\n0.750000 0.825352 0.002402 Sr\n0.750000 0.087703 0.161887 H\n0.750000 0.587703 0.338113 H\n0.250000 0.912297 0.838113 H\n0.250000 0.412297 0.661887 H\n0.750000 0.059484 0.709979 H\n0.750000 0.559484 0.790021 H\n0.250000 0.940516 0.290021 H\n0.250000 0.440516 0.209979 H\n0.750000 0.683819 0.733676 Cl\n0.750000 0.183819 0.766324 Cl\n0.250000 0.316181 0.266324 Cl\n0.250000 0.816181 0.233676 Cl\n0.750000 0.559415 0.130037 Cl\n0.750000 0.059415 0.369963 Cl\n0.250000 0.440585 0.869963 Cl\n0.250000 0.940585 0.630037 Cl\n0.750000 0.583176 0.425187 O\n0.750000 0.083176 0.074813 O\n0.250000 0.416824 0.574813 O\n0.250000 0.916824 0.925187 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.567527410314721,
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"volume": 456.70973736032704,
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"formula_full": "Sr4 H8 Cl8 O4",
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"updated_at": "2021-11-28T01:37:00.007000Z",
"spacegroup": 62
},
{
"id": "mp-556478",
"created_at": "2022-09-04T14:43:01.586500Z",
"structure_string": "Sr4 H8 C8 O16\n1.0\n7.001334 0.000000 0.000000\n0.000000 7.385167 0.000000\n0.000000 0.000000 8.847250\nSr H C O\n4 8 8 16\ndirect\n0.004093 0.241225 0.664628 Sr\n0.995907 0.741225 0.835372 Sr\n0.504093 0.258775 0.335372 Sr\n0.495907 0.758775 0.164628 Sr\n0.471959 0.004171 0.778571 H\n0.709949 0.206465 0.989155 H\n0.528041 0.504171 0.721429 H\n0.028041 0.995829 0.278571 H\n0.971959 0.495829 0.221429 H\n0.790051 0.793535 0.489155 H\n0.290051 0.706465 0.510845 H\n0.209949 0.293535 0.010845 H\n0.386138 0.443090 0.699357 C\n0.886138 0.056910 0.300643 C\n0.230431 0.144572 0.008176 C\n0.269569 0.855428 0.508176 C\n0.769569 0.644572 0.491824 C\n0.113862 0.556910 0.199357 C\n0.613862 0.943090 0.800643 C\n0.730431 0.355428 0.991824 C\n0.154887 0.921878 0.604216 O\n0.743801 0.997497 0.226610 O\n0.845113 0.421878 0.895784 O\n0.256199 0.497497 0.273390 O\n0.125592 0.684599 0.103213 O\n0.361951 0.941490 0.407520 O\n0.374408 0.315401 0.603213 O\n0.625592 0.815401 0.896787 O\n0.861951 0.558510 0.592480 O\n0.874408 0.184599 0.396787 O\n0.756199 0.002503 0.726610 O\n0.138049 0.058510 0.907520 O\n0.345113 0.078122 0.104216 O\n0.654887 0.578122 0.395784 O\n0.638049 0.441490 0.092480 O\n0.243801 0.502503 0.773390 O\n",
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"formula_full": "Sr4 H8 C8 O16",
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"spacegroup": 19
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{
"id": "mp-1197098",
"created_at": "2022-09-04T14:44:22.855808Z",
"structure_string": "Sr4 H8 C8 O16\n1.0\n7.222138 0.000000 0.000000\n0.000000 7.222138 0.000000\n0.000000 0.000000 10.543950\nSr H C O\n4 8 8 16\ndirect\n0.766230 0.233770 0.250000 Sr\n0.233770 0.766230 0.750000 Sr\n0.733770 0.733770 0.000000 Sr\n0.266230 0.266230 0.500000 Sr\n0.802018 0.144908 0.633852 H\n0.197982 0.855092 0.133852 H\n0.644908 0.697982 0.383852 H\n0.355092 0.302018 0.883852 H\n0.855092 0.197982 0.866148 H\n0.144908 0.802018 0.366148 H\n0.697982 0.644908 0.616148 H\n0.302018 0.355092 0.116148 H\n0.776403 0.227037 0.546195 C\n0.223597 0.772963 0.046195 C\n0.727037 0.723597 0.296195 C\n0.272963 0.276403 0.796195 C\n0.772963 0.223597 0.953805 C\n0.227037 0.776403 0.453805 C\n0.723597 0.727037 0.703805 C\n0.276403 0.272963 0.203805 C\n0.915937 0.264636 0.476707 O\n0.084063 0.735364 0.976707 O\n0.764636 0.584063 0.226707 O\n0.235364 0.415937 0.726707 O\n0.735364 0.084063 0.023293 O\n0.264636 0.915937 0.523293 O\n0.584063 0.764636 0.773293 O\n0.415937 0.235364 0.273293 O\n0.612545 0.272347 0.519530 O\n0.387455 0.727653 0.019530 O\n0.772347 0.887455 0.269530 O\n0.227653 0.112545 0.769530 O\n0.727653 0.387455 0.980470 O\n0.272347 0.612545 0.480470 O\n0.887455 0.772347 0.730470 O\n0.112545 0.227653 0.230470 O\n",
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"formula_full": "Sr4 H8 C8 O16",
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{
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"structure_string": "Sr4 H8 I8 O4\n1.0\n4.556126 0.000000 0.000000\n0.000000 9.818031 0.000000\n0.000000 0.000000 12.689507\nSr H I O\n4 8 8 4\ndirect\n0.250000 0.377828 0.698064 Sr\n0.250000 0.122172 0.198064 Sr\n0.750000 0.622172 0.301936 Sr\n0.750000 0.877828 0.801936 Sr\n0.750000 0.315439 0.875365 H\n0.750000 0.184561 0.375365 H\n0.250000 0.684561 0.124635 H\n0.250000 0.815439 0.624635 H\n0.750000 0.470371 0.849389 H\n0.750000 0.029629 0.349389 H\n0.250000 0.529629 0.150611 H\n0.250000 0.970371 0.650611 H\n0.750000 0.610336 0.603033 I\n0.750000 0.889664 0.103033 I\n0.250000 0.389664 0.396967 I\n0.250000 0.110336 0.896967 I\n0.750000 0.143430 0.608124 I\n0.750000 0.356570 0.108124 I\n0.250000 0.856570 0.391876 I\n0.250000 0.643430 0.891876 I\n0.750000 0.380050 0.815750 O\n0.750000 0.119950 0.315750 O\n0.250000 0.619950 0.184250 O\n0.250000 0.880050 0.684250 O\n",
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{
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"structure_string": "Sr2 H4 I4 O14\n1.0\n3.944388 6.570318 0.000000\n-3.944388 6.570318 0.000000\n0.000000 5.897787 6.785727\nSr H I O\n2 4 4 14\ndirect\n0.160010 0.839990 0.250000 Sr\n0.839990 0.160010 0.750000 Sr\n0.261105 0.793727 0.807906 H\n0.206273 0.738895 0.692094 H\n0.738895 0.206273 0.192094 H\n0.793727 0.261105 0.307906 H\n0.341714 0.286155 0.672560 I\n0.713845 0.658286 0.827440 I\n0.286155 0.341714 0.172560 I\n0.658286 0.713845 0.327440 I\n0.161369 0.838631 0.750000 O\n0.838631 0.161369 0.250000 O\n0.764050 0.594003 0.636779 O\n0.405997 0.235950 0.863221 O\n0.235950 0.405997 0.363221 O\n0.594003 0.764050 0.136779 O\n0.413718 0.742578 0.929672 O\n0.257422 0.586282 0.570328 O\n0.586282 0.257422 0.070328 O\n0.742578 0.413718 0.429672 O\n0.780398 0.922414 0.671995 O\n0.077586 0.219602 0.828005 O\n0.219602 0.077586 0.328005 O\n0.922414 0.780398 0.171995 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:43:10.255925Z",
"structure_string": "Sr2 H8 N4\n1.0\n-2.756566 2.756566 5.504490\n2.756566 -2.756566 5.504490\n2.756566 2.756566 -5.504490\nSr H N\n2 8 4\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.451405 0.097968 0.646563 H\n0.451405 0.804842 0.353437 H\n0.298595 0.445158 0.146563 H\n0.298595 0.152032 0.853437 H\n0.902032 0.548595 0.353437 H\n0.195158 0.548595 0.646563 H\n0.554842 0.701405 0.853437 H\n0.847968 0.701405 0.146563 H\n0.990321 0.490321 0.500000 N\n0.759679 0.759679 0.000000 N\n0.509679 0.009679 0.500000 N\n0.240321 0.240321 0.000000 N\n",
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"density": 2.375379205115888,
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"volume": 167.30690633560988,
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"formula_full": "Sr2 H8 N4",
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"total_magnetization": 1.8e-05,
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"updated_at": "2021-11-28T01:36:14.963000Z",
"spacegroup": 141
},
{
"id": "mp-24456",
"created_at": "2022-09-04T14:46:01.664563Z",
"structure_string": "Sr4 H8 N8 O20\n1.0\n9.072004 0.000000 0.000000\n0.000000 4.543144 0.000000\n0.000000 2.080454 12.581462\nSr H N O\n4 8 8 20\ndirect\n0.775808 0.120664 0.423655 Sr\n0.275808 0.879336 0.576345 Sr\n0.500342 0.933582 0.927881 Sr\n0.000342 0.066418 0.072119 Sr\n0.572169 0.095238 0.216949 H\n0.072169 0.904762 0.783051 H\n0.472166 0.157631 0.307638 H\n0.972166 0.842369 0.692362 H\n0.887647 0.141756 0.830862 H\n0.387647 0.858244 0.169138 H\n0.512659 0.610660 0.181312 H\n0.012659 0.389340 0.818688 H\n0.761532 0.472763 0.015365 N\n0.261532 0.527237 0.984635 N\n0.013896 0.471191 0.497201 N\n0.513896 0.528809 0.502799 N\n0.688985 0.007746 0.691236 N\n0.188985 0.992254 0.308764 N\n0.377727 0.426224 0.731463 N\n0.877727 0.573776 0.268537 N\n0.139470 0.380104 0.534217 O\n0.639470 0.619896 0.465783 O\n0.456365 0.490834 0.806053 O\n0.956365 0.509166 0.193947 O\n0.348217 0.149113 0.738407 O\n0.848217 0.850887 0.261593 O\n0.492733 0.253315 0.504229 O\n0.992733 0.746685 0.495771 O\n0.216315 0.988720 0.211038 O\n0.716315 0.011280 0.788962 O\n0.302692 0.974594 0.367996 O\n0.802692 0.025406 0.632004 O\n0.984983 0.193163 0.859637 O\n0.484983 0.806837 0.140363 O\n0.633813 0.395644 0.989255 O\n0.133813 0.604356 0.010745 O\n0.777333 0.752419 0.009932 O\n0.277333 0.247581 0.990068 O\n0.064668 0.769412 0.729709 O\n0.564668 0.230588 0.270291 O\n",
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"elements": [
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],
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"formula_full": "Sr4 H8 N8 O20",
"formula_reduced": "SrH2N2O5",
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"energy": -256.49428814,
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"updated_at": "2021-11-28T01:37:16.639000Z",
"spacegroup": 4
}
]
}