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{
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"results": [
{
"id": "mp-1074228",
"created_at": "2022-09-04T14:41:48.402592Z",
"structure_string": "Mg8 Si14\n1.0\n4.240688 0.000000 0.000000\n0.485741 6.741589 0.000000\n2.115182 2.062947 14.495185\nMg Si\n8 14\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.591447 0.880910 0.351272 Mg\n0.408553 0.119090 0.648728 Mg\n0.635310 0.978305 0.837937 Mg\n0.364690 0.021695 0.162063 Mg\n0.519592 0.327741 0.423054 Mg\n0.480408 0.672259 0.576946 Mg\n0.542954 0.279882 0.940221 Si\n0.457046 0.720118 0.059779 Si\n0.176900 0.428665 0.053953 Si\n0.823100 0.571335 0.946047 Si\n0.932407 0.355897 0.555458 Si\n0.067593 0.644103 0.444542 Si\n0.603402 0.618574 0.214392 Si\n0.396598 0.381426 0.785608 Si\n0.929278 0.827399 0.682211 Si\n0.070722 0.172601 0.317789 Si\n0.807067 0.275311 0.178834 Si\n0.192933 0.724689 0.821166 Si\n0.910579 0.466667 0.702903 Si\n0.089421 0.533333 0.297097 Si\n",
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"spacegroup": 2
},
{
"id": "mp-1219555",
"created_at": "2022-09-04T14:42:43.283602Z",
"structure_string": "Re4 Si7\n1.0\n2.227927 2.229609 0.000000\n-2.227927 2.229609 0.000000\n0.000000 0.022340 15.710261\nRe Si\n4 7\ndirect\n0.493020 0.493020 0.245707 Re\n0.500004 0.500004 0.735741 Re\n0.998050 0.998050 0.999024 Re\n0.992679 0.992679 0.490666 Re\n0.996801 0.996801 0.153585 Si\n0.996888 0.996888 0.664377 Si\n0.498127 0.498127 0.062965 Si\n0.495088 0.495088 0.578897 Si\n0.991509 0.991509 0.324355 Si\n0.964669 0.964669 0.841368 Si\n0.491706 0.491706 0.409215 Si\n",
"nsites": 11,
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"elements": [
"Re",
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],
"chemical_system": "Re-Si",
"density": 10.015957086954066,
"density_atomic": 0.07047735939986978,
"volume": 156.07849235084032,
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"formula_full": "Re4 Si7",
"formula_reduced": "Re4Si7",
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"energy": -89.48149394,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.132000Z",
"spacegroup": 8
},
{
"id": "mp-1074835",
"created_at": "2022-09-04T14:41:15.228709Z",
"structure_string": "Mg14 Si8\n1.0\n-5.459242 0.000000 0.000000\n-0.004898 -6.228875 0.000000\n1.518979 3.083658 13.213961\nMg Si\n14 8\ndirect\n0.892098 0.164511 0.218838 Mg\n0.914679 0.675415 0.254603 Mg\n0.457748 0.471891 0.369254 Mg\n0.446177 0.967061 0.337778 Mg\n0.053728 0.577734 0.029630 Mg\n0.303359 0.601809 0.591090 Mg\n0.695691 0.476027 0.821112 Mg\n0.300106 0.094985 0.574360 Mg\n0.570017 0.827420 0.046347 Mg\n0.586279 0.315205 0.022822 Mg\n0.058130 0.054764 0.990465 Mg\n0.539373 0.964716 0.786254 Mg\n0.783547 0.348113 0.576151 Mg\n0.776912 0.822402 0.530518 Mg\n0.245349 0.691779 0.863888 Si\n0.370870 0.190068 0.174993 Si\n0.397434 0.590146 0.185188 Si\n0.967432 0.123976 0.721388 Si\n0.238140 0.305481 0.862400 Si\n0.977231 0.449617 0.409847 Si\n0.968168 0.055424 0.403893 Si\n0.957462 0.735174 0.725452 Si\n",
"nsites": 22,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-Si",
"density": 2.087791872974095,
"density_atomic": 0.04896070899604885,
"volume": 449.339898279974,
"volume_molar": 12.29994598420948,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
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"updated_at": "2021-11-28T01:35:18.209000Z",
"spacegroup": 1
},
{
"id": "mp-15178",
"created_at": "2022-09-04T14:45:27.073221Z",
"structure_string": "Lu8 C14\n1.0\n13.530328 0.000000 0.000000\n0.000000 3.604646 0.000000\n0.000000 1.660520 6.067985\nLu C\n8 14\ndirect\n0.945766 0.365516 0.259892 Lu\n0.445766 0.634484 0.240108 Lu\n0.054234 0.634484 0.740108 Lu\n0.554234 0.365516 0.759892 Lu\n0.659929 0.056860 0.339845 Lu\n0.159929 0.943140 0.160155 Lu\n0.340071 0.943140 0.660155 Lu\n0.840071 0.056860 0.839845 Lu\n0.500000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.786201 0.462538 0.076116 C\n0.286201 0.537462 0.423884 C\n0.213799 0.537462 0.923884 C\n0.713799 0.462538 0.576116 C\n0.197483 0.377771 0.455178 C\n0.697483 0.622229 0.044822 C\n0.396497 0.267911 0.949810 C\n0.896497 0.732089 0.550190 C\n0.603503 0.732089 0.050190 C\n0.103503 0.267911 0.449810 C\n0.302517 0.377771 0.955178 C\n0.802517 0.622229 0.544822 C\n",
"nsites": 22,
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"elements": [
"Lu",
"C"
],
"chemical_system": "C-Lu",
"density": 8.797273222734885,
"density_atomic": 0.07433737767990013,
"volume": 295.94802354655184,
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"formula_full": "Lu8 C14",
"formula_reduced": "Lu4C7",
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"energy": -172.50825015,
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"updated_at": "2021-11-28T01:37:00.583000Z",
"spacegroup": 14
},
{
"id": "mp-1074925",
"created_at": "2022-09-04T14:45:22.161519Z",
"structure_string": "Mg14 Si8\n1.0\n5.555955 0.000000 0.000000\n-1.079047 5.796336 0.000000\n-1.566347 -1.363110 13.441255\nMg Si\n14 8\ndirect\n0.297042 0.934397 0.194308 Mg\n0.156363 0.483863 0.278842 Mg\n0.904329 0.934557 0.354168 Mg\n0.646726 0.368913 0.327600 Mg\n0.976152 0.497751 0.039946 Mg\n0.144857 0.798100 0.549475 Mg\n0.219176 0.395979 0.863434 Mg\n0.392586 0.302057 0.667007 Mg\n0.454327 0.325055 0.076344 Mg\n0.514767 0.828219 0.999718 Mg\n0.024053 0.984028 0.965049 Mg\n0.343329 0.855644 0.768037 Mg\n0.804124 0.200425 0.530239 Mg\n0.622551 0.682736 0.547838 Mg\n0.669194 0.211329 0.877325 Si\n0.820963 0.107556 0.163598 Si\n0.758963 0.690024 0.180339 Si\n0.938287 0.502757 0.695993 Si\n0.725249 0.609615 0.836872 Si\n0.414735 0.926400 0.401096 Si\n0.280457 0.292568 0.456696 Si\n0.888109 0.060580 0.722348 Si\n",
"nsites": 22,
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"elements": [
"Mg",
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],
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"density": 2.167255395792464,
"density_atomic": 0.05082420433141907,
"volume": 432.86462207141324,
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"formula_full": "Mg14 Si8",
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"updated_at": "2021-11-28T01:37:00.395000Z",
"spacegroup": 1
},
{
"id": "mp-1097016",
"created_at": "2022-09-04T14:47:55.276945Z",
"structure_string": "H48 C84\n1.0\n11.453383 0.000000 0.000000\n0.000000 8.914317 0.000000\n0.000000 0.674160 15.308577\nH C\n48 84\ndirect\n0.713019 0.118184 0.392665 H\n0.213019 0.881816 0.607335 H\n0.868268 0.261180 0.464282 H\n0.368268 0.738820 0.535718 H\n0.075658 0.176115 0.455852 H\n0.575658 0.823885 0.544148 H\n0.216271 0.021278 0.405801 H\n0.716271 0.978722 0.594199 H\n0.281506 0.797448 0.324440 H\n0.781506 0.202552 0.675560 H\n0.135011 0.647868 0.247598 H\n0.635011 0.352132 0.752402 H\n0.700597 0.050770 0.203922 H\n0.200597 0.949230 0.796078 H\n0.532896 0.934771 0.133625 H\n0.032896 0.065229 0.866375 H\n0.402148 0.712720 0.117332 H\n0.902148 0.287280 0.882668 H\n0.333394 0.462522 0.171224 H\n0.833394 0.537478 0.828776 H\n0.340391 0.251182 0.281086 H\n0.840391 0.748818 0.718914 H\n0.421359 0.136872 0.419629 H\n0.921359 0.863128 0.580371 H\n0.573112 0.269962 0.502086 H\n0.073112 0.730038 0.497914 H\n0.706203 0.483972 0.515017 H\n0.206203 0.516028 0.484983 H\n0.790852 0.721985 0.454415 H\n0.290852 0.278015 0.545585 H\n0.920287 0.498104 0.324359 H\n0.420287 0.501896 0.675641 H\n0.793142 0.330000 0.245253 H\n0.293142 0.670000 0.754747 H\n0.659958 0.284651 0.119849 H\n0.159958 0.715349 0.880151 H\n0.567191 0.373385 0.981770 H\n0.067191 0.626615 0.018230 H\n0.539685 0.574160 0.865963 H\n0.039685 0.425840 0.134037 H\n0.590864 0.824779 0.800038 H\n0.090864 0.175221 0.199962 H\n0.735763 0.986865 0.873098 H\n0.235763 0.013135 0.126902 H\n0.866681 0.030097 0.995480 H\n0.366681 0.969903 0.004520 H\n0.952910 0.948687 0.137725 H\n0.452910 0.051313 0.862275 H\n0.826825 0.951907 0.341627 C\n0.326825 0.048093 0.658373 C\n0.803275 0.080178 0.387416 C\n0.303275 0.919822 0.612584 C\n0.891268 0.162625 0.428291 C\n0.391268 0.837375 0.571709 C\n0.005358 0.117004 0.423579 C\n0.505358 0.882996 0.576421 C\n0.035071 0.990352 0.375430 C\n0.535071 0.009648 0.624570 C\n0.154674 0.950849 0.371691 C\n0.654674 0.049151 0.628309 C\n0.189516 0.828518 0.327050 C\n0.689516 0.171482 0.672950 C\n0.105333 0.744496 0.282918 C\n0.605333 0.255504 0.717082 C\n0.986857 0.780661 0.281998 C\n0.486857 0.219339 0.718002 C\n0.946784 0.904952 0.331664 C\n0.446784 0.095048 0.668336 C\n0.722880 0.875070 0.304094 C\n0.222880 0.124930 0.695906 C\n0.666496 0.944646 0.231657 C\n0.166496 0.055354 0.768343 C\n0.571405 0.879179 0.191652 C\n0.071405 0.120821 0.808348 C\n0.527721 0.739340 0.222339 C\n0.027721 0.260660 0.777661 C\n0.578034 0.670452 0.299563 C\n0.078034 0.329548 0.700437 C\n0.437613 0.661212 0.177686 C\n0.937613 0.338788 0.822314 C\n0.399202 0.523325 0.207247 C\n0.899202 0.476675 0.792753 C\n0.444664 0.453154 0.285957 C\n0.944664 0.546846 0.714043 C\n0.533652 0.529505 0.332467 C\n0.033652 0.470495 0.667533 C\n0.405984 0.311078 0.317919 C\n0.905984 0.688922 0.682081 C\n0.451789 0.247030 0.395331 C\n0.951789 0.752970 0.604669 C\n0.537265 0.321148 0.441777 C\n0.037265 0.678852 0.558223 C\n0.580633 0.461315 0.410936 C\n0.080633 0.538685 0.589064 C\n0.672692 0.537071 0.454398 C\n0.172692 0.462929 0.545602 C\n0.718904 0.668693 0.420813 C\n0.218904 0.331307 0.579187 C\n0.674753 0.740167 0.341668 C\n0.174753 0.259833 0.658332 C\n0.909316 0.683717 0.229238 C\n0.409316 0.316283 0.770762 C\n0.884664 0.537050 0.261267 C\n0.384664 0.462950 0.738733 C\n0.812478 0.441313 0.216307 C\n0.312478 0.558687 0.783693 C\n0.761197 0.487832 0.136372 C\n0.261197 0.512168 0.863628 C\n0.788681 0.634124 0.100148 C\n0.288681 0.365876 0.899852 C\n0.681067 0.395334 0.090953 C\n0.181067 0.604666 0.909047 C\n0.629636 0.444381 0.014531 C\n0.129636 0.555619 0.985469 C\n0.655808 0.589969 0.976047 C\n0.155808 0.410031 0.023953 C\n0.737383 0.683407 0.019100 C\n0.237383 0.316593 0.980900 C\n0.603584 0.644162 0.897799 C\n0.103584 0.355838 0.102201 C\n0.632262 0.785520 0.860979 C\n0.132262 0.214480 0.139021 C\n0.713050 0.876321 0.901714 C\n0.213050 0.123679 0.098286 C\n0.765468 0.828054 0.981034 C\n0.265468 0.171946 0.018966 C\n0.845774 0.920309 0.025980 C\n0.345774 0.079691 0.974020 C\n0.892751 0.875083 0.104845 C\n0.392751 0.124917 0.895155 C\n0.864969 0.731505 0.145907 C\n0.364969 0.268495 0.854093 C\n",
"nsites": 132,
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"volume": 1562.9917316688384,
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"updated_at": "2021-11-28T01:38:21.074000Z",
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},
{
"id": "mp-1074844",
"created_at": "2022-09-04T14:47:57.977512Z",
"structure_string": "Mg14 Si8\n1.0\n5.111995 0.000000 0.000000\n-0.024629 5.945737 0.000000\n-2.327281 -0.970139 14.097782\nMg Si\n14 8\ndirect\n0.316725 0.863300 0.889958 Mg\n0.912729 0.571003 0.641131 Mg\n0.354535 0.426263 0.526297 Mg\n0.265319 0.102162 0.704228 Mg\n0.315182 0.367998 0.894201 Mg\n0.215305 0.655055 0.303505 Mg\n0.202054 0.158100 0.303040 Mg\n0.289090 0.920485 0.506346 Mg\n0.843751 0.625152 0.953684 Mg\n0.845158 0.126527 0.975237 Mg\n0.395526 0.148794 0.101384 Mg\n0.439204 0.649425 0.102029 Mg\n0.759316 0.702696 0.429762 Mg\n0.806152 0.208117 0.445021 Mg\n0.954229 0.863739 0.137203 Si\n0.782669 0.302551 0.789081 Si\n0.454268 0.586847 0.726809 Si\n0.688746 0.390416 0.266310 Si\n0.945824 0.432848 0.135316 Si\n0.791422 0.887307 0.788030 Si\n0.746851 0.055229 0.620633 Si\n0.679546 0.955894 0.264484 Si\n",
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{
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"structure_string": "Mg8 Si14\n1.0\n15.860966 -0.024157 4.039612\n-0.005934 3.771893 0.000941\n0.258062 0.001701 6.731580\nMg Si\n8 14\ndirect\n0.927615 0.071464 0.872267 Mg\n0.514227 0.068530 0.766142 Mg\n0.364443 0.567012 0.995357 Mg\n0.663784 0.569317 0.482724 Mg\n0.842176 0.071163 0.361782 Mg\n0.190716 0.567288 0.285555 Mg\n0.424923 0.567034 0.509930 Mg\n0.583060 0.568251 0.042054 Mg\n0.945428 0.576122 0.503128 Si\n0.003362 0.566556 0.098571 Si\n0.092316 0.066935 0.123887 Si\n0.056473 0.063973 0.505512 Si\n0.558382 0.067600 0.359961 Si\n0.448661 0.067653 0.184443 Si\n0.247373 0.565795 0.676313 Si\n0.798595 0.571218 0.096271 Si\n0.699269 0.069112 0.758757 Si\n0.095185 0.563889 0.697032 Si\n0.241462 0.066202 0.923947 Si\n0.801271 0.571518 0.724343 Si\n0.701825 0.069652 0.130276 Si\n0.303045 0.067439 0.398082 Si\n",
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