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{
"id": "oqmd-1502683",
"created_at": "2022-09-04T15:53:07.264891Z",
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"structure_string": "Na1 Li2 Mg1\n1.0\n-2.376002 2.376002 4.030937\n2.376002 -2.376002 4.030937\n2.376002 2.376002 -4.030937\nLi Mg Na\n2 1 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Na\n",
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{
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"structure_string": "Li3 Be1 C1\n1.0\n3.963357 0.000000 0.000000\n0.000000 3.963357 0.000000\n0.000000 0.000000 3.963357\nBe C Li\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n",
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{
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"structure_string": "Li3 Al1 H6\n1.0\n0.000000 3.420909 3.420909\n3.420909 0.000000 3.420909\n3.420909 3.420909 0.000000\nAl H Li\n1 6 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.753092 0.246908 0.246908 H\n0.246908 0.753092 0.246908 H\n0.753092 0.753092 0.246908 H\n0.246908 0.246908 0.753092 H\n0.753092 0.246908 0.753092 H\n0.246908 0.753092 0.753092 H\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n",
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{
"id": "oqmd-311414",
"created_at": "2022-09-04T14:51:17.891705Z",
"updated_at": "2022-09-04T14:51:17.891732Z",
"structure_string": "K3 Mg1\n1.0\n0.000000 4.721289 4.721289\n4.721289 0.000000 4.721289\n4.721289 4.721289 0.000000\nK Mg\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"volume": 210.48044420415806,
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{
"id": "oqmd-878786",
"created_at": "2022-09-04T15:32:43.389580Z",
"updated_at": "2022-09-04T15:32:43.389600Z",
"structure_string": "K1 Rb1 Ca1\n1.0\n0.000000 4.964561 4.964561\n4.964561 0.000000 4.964561\n4.964561 4.964561 0.000000\nCa K Rb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 3,
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"elements": [
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{
"id": "oqmd-21779",
"created_at": "2022-09-04T15:15:46.995173Z",
"updated_at": "2022-09-04T15:15:46.995203Z",
"structure_string": "Si2 H18 C6 Cl2\n1.0\n6.229542 0.000000 -0.024118\n0.000000 7.724170 0.000000\n-0.119301 0.000000 6.711719\nC Cl H Si\n6 2 18 2\ndirect\n0.762166 0.050658 0.181827 C\n0.762166 0.449343 0.181827 C\n0.232728 0.750000 0.417403 C\n0.767272 0.250000 0.582597 C\n0.237834 0.550657 0.818173 C\n0.237834 0.949342 0.818173 C\n0.337660 0.250000 0.313467 Cl\n0.662340 0.750000 0.686533 Cl\n0.702622 0.050877 0.026680 H\n0.702622 0.449124 0.026680 H\n0.938660 0.045619 0.179621 H\n0.938660 0.454382 0.179621 H\n0.704467 0.567412 0.254705 H\n0.704467 0.932588 0.254705 H\n0.291175 0.634301 0.340277 H\n0.291175 0.865698 0.340277 H\n0.056049 0.750000 0.407389 H\n0.943950 0.250000 0.592611 H\n0.708825 0.134302 0.659723 H\n0.708825 0.365699 0.659723 H\n0.295534 0.067412 0.745295 H\n0.295534 0.432588 0.745295 H\n0.061340 0.545618 0.820378 H\n0.061340 0.954381 0.820378 H\n0.297378 0.550876 0.973320 H\n0.297378 0.949123 0.973320 H\n0.677880 0.250000 0.315679 Si\n0.322120 0.750000 0.684321 Si\n",
"nsites": 28,
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"elements": [
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"formula_full": "Si2 H18 C6 Cl2",
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{
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"created_at": "2022-09-04T14:49:48.613651Z",
"updated_at": "2022-09-04T14:49:48.613686Z",
"structure_string": "K3 Rb1\n1.0\n-3.270834 3.270834 7.039941\n3.270834 -3.270834 7.039941\n3.270834 3.270834 -7.039941\nK Rb\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.749999 0.250000 0.499999 K\n0.250000 0.749999 0.499999 K\n0.000000 0.000000 0.000000 Rb\n",
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{
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"created_at": "2022-09-04T15:00:43.435574Z",
"updated_at": "2022-09-04T15:00:43.435583Z",
"structure_string": "K1 Li2 Ca1\n1.0\n0.000000 4.104179 4.104179\n4.104179 0.000000 4.104179\n4.104179 4.104179 0.000000\nCa K Li\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n",
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{
"id": "oqmd-2908",
"created_at": "2022-09-04T14:59:35.400061Z",
"updated_at": "2022-09-04T14:59:35.400082Z",
"structure_string": "H8 N2 F2\n1.0\n4.292440 0.000000 0.000000\n-2.146220 3.717227 0.000000\n0.000000 0.000000 6.896215\nF H N\n2 8 2\ndirect\n0.666673 0.333345 0.494001 F\n0.333328 0.666656 0.994000 F\n0.333320 0.666639 0.221018 H\n0.466607 0.933214 0.423292 H\n0.066777 0.533379 0.423299 H\n0.466601 0.533379 0.423299 H\n0.666681 0.333361 0.721019 H\n0.533393 0.066786 0.923292 H\n0.533401 0.466622 0.923299 H\n0.933221 0.466622 0.923299 H\n0.333322 0.666645 0.373190 N\n0.666677 0.333353 0.873191 N\n",
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{
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"created_at": "2022-09-04T15:40:57.484663Z",
"updated_at": "2022-09-04T15:40:57.484676Z",
"structure_string": "Ga4 Cl2\n1.0\n4.511891 2.604941 7.367887\n-4.511891 2.604941 7.367887\n0.000000 -5.209883 7.367887\nCl Ga\n2 4\ndirect\n0.250000 0.250000 0.250000 Cl\n0.499999 0.499999 0.499999 Cl\n0.375000 0.375000 0.375000 Ga\n0.875002 0.375000 0.375000 Ga\n0.375000 0.875002 0.375000 Ga\n0.375000 0.375000 0.875002 Ga\n",
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{
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"structure_string": "K8 Mg8\n1.0\n18.368129 0.000000 0.000000\n0.000000 7.916552 0.000000\n0.000000 0.000000 5.177575\nK Mg\n8 8\ndirect\n0.739788 0.248911 0.000000 K\n0.104599 0.499999 0.000000 K\n0.479389 0.499999 0.000000 K\n0.739788 0.751088 0.000000 K\n0.187278 0.000000 0.499999 K\n0.562068 0.000000 0.499999 K\n0.926878 0.251089 0.499999 K\n0.926878 0.748911 0.499999 K\n0.032726 0.000000 0.000000 Mg\n0.402042 0.000000 0.000000 Mg\n0.290916 0.295487 0.000000 Mg\n0.290916 0.704513 0.000000 Mg\n0.375750 0.204512 0.499999 Mg\n0.264625 0.499999 0.499999 Mg\n0.633940 0.499999 0.499999 Mg\n0.375750 0.795486 0.499999 Mg\n",
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