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{
"id": "jvasp-93151",
"created_at": "2022-09-04T14:36:09.836752Z",
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{
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"structure_string": "Hf1 Mg6 Fe1\n1.0\n6.335436 -0.156559 0.000000\n-3.303302 5.408368 0.000000\n0.000000 0.000000 4.762833\nHf Mg Fe\n1 6 1\ndirect\n0.304200 0.195801 0.749999 Hf\n0.176447 0.838421 0.250000 Mg\n0.661580 0.323553 0.250000 Mg\n0.673788 0.826213 0.250000 Mg\n0.317274 0.669951 0.749999 Mg\n0.830050 0.182727 0.749999 Mg\n0.832649 0.667352 0.749999 Mg\n0.204017 0.295983 0.250000 Fe\n",
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{
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"structure_string": "La1 Mg6 Nb1\n1.0\n6.617131 -0.094238 0.000000\n-3.390178 5.683484 0.000000\n0.000000 0.000000 5.060905\nLa Mg Nb\n1 6 1\ndirect\n0.196955 0.303044 0.250000 La\n0.187212 0.829915 0.250000 Mg\n0.670084 0.312787 0.250000 Mg\n0.665645 0.834354 0.250000 Mg\n0.327575 0.686346 0.750001 Mg\n0.813653 0.172424 0.750001 Mg\n0.824912 0.675087 0.750001 Mg\n0.313960 0.186039 0.750001 Nb\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-103708",
"created_at": "2022-09-04T14:36:36.416829Z",
"updated_at": "2022-09-04T14:36:36.416854Z",
"structure_string": "La1 Th1 Pb6\n1.0\n4.934404 -0.000000 0.000000\n0.000000 4.934404 0.000000\n-0.000000 -0.000000 9.891279\nLa Th Pb\n1 1 6\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 Th\n0.500000 0.500000 -0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.500000 0.000000 0.251952 Pb\n0.500000 0.000000 0.748048 Pb\n-0.000000 0.500000 0.251952 Pb\n-0.000000 0.500000 0.748048 Pb\n",
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"volume": 240.8362521707725,
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"formula_full": "La1 Th1 Pb6",
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{
"id": "jvasp-16200",
"created_at": "2022-09-04T14:36:31.011192Z",
"updated_at": "2022-09-04T14:36:31.011212Z",
"structure_string": "Sr1 Rh1 F6\n1.0\n4.745710 -0.001466 -0.679219\n-0.783147 4.680646 -0.679219\n-0.001241 -0.001466 4.794069\nSr Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.708671 0.708672 0.070598 F\n0.708672 0.070597 0.708672 F\n0.291328 0.929402 0.291328 F\n0.291328 0.291328 0.929402 F\n0.929402 0.291328 0.291328 F\n0.070598 0.708672 0.708672 F\n",
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"volume": 106.47564378374076,
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"formula_full": "Sr1 Rh1 F6",
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"spacegroup": 166
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{
"id": "jvasp-92898",
"created_at": "2022-09-04T14:36:10.450925Z",
"updated_at": "2022-09-04T14:36:10.450963Z",
"structure_string": "Mg6 Sb1 Mo1\n1.0\n6.171212 0.097835 0.000000\n-3.000879 5.197675 0.000000\n0.000000 0.000000 5.094603\nMg Sb Mo\n6 1 1\ndirect\n0.664093 0.329396 0.250000 Mg\n0.664092 0.834694 0.250000 Mg\n0.333086 0.179890 0.749999 Mg\n0.333085 0.653196 0.749999 Mg\n0.852502 0.176251 0.749999 Mg\n0.826389 0.663194 0.749999 Mg\n0.158247 0.829123 0.250000 Sb\n0.168501 0.334249 0.250000 Mo\n",
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"density": 3.6605168276876228,
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{
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"created_at": "2022-09-04T14:36:17.300587Z",
"updated_at": "2022-09-04T14:36:17.300626Z",
"structure_string": "Cu1 Sn1 F6\n1.0\n4.536021 0.046335 3.157909\n1.673960 4.216099 3.157910\n0.067507 0.046335 5.526601\nCu Sn F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Cu\n0.000000 0.000000 0.000000 Sn\n0.249904 0.898489 0.603814 F\n0.898488 0.603816 0.249903 F\n0.396185 0.750097 0.101512 F\n0.101512 0.396187 0.750096 F\n0.750096 0.101513 0.396185 F\n0.603814 0.249905 0.898487 F\n",
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{
"id": "jvasp-93189",
"created_at": "2022-09-04T14:36:18.293709Z",
"updated_at": "2022-09-04T14:36:18.293735Z",
"structure_string": "Li1 Mg6 B1\n1.0\n6.722596 1.289090 0.000000\n-2.244913 6.466481 0.000000\n0.000000 0.000000 3.383397\nLi Mg B\n1 6 1\ndirect\n0.125943 0.374057 0.250000 Li\n0.217160 0.949144 0.250000 Mg\n0.550856 0.282840 0.250000 Mg\n0.654124 0.845877 0.250000 Mg\n0.372708 0.590331 0.750001 Mg\n0.909670 0.127292 0.750001 Mg\n0.892852 0.607149 0.750001 Mg\n0.276691 0.223309 0.750001 B\n",
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"formula_full": "Li1 Mg6 B1",
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{
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"created_at": "2022-09-04T14:36:10.206625Z",
"updated_at": "2022-09-04T14:36:10.206654Z",
"structure_string": "Nb1 V1 F6\n1.0\n4.703305 0.149579 3.131649\n1.754237 4.366474 3.131650\n0.213883 0.149577 5.646464\nNb V F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 V\n0.885836 0.248193 0.619623 F\n0.248192 0.619623 0.885837 F\n0.380376 0.114163 0.751808 F\n0.751807 0.380377 0.114163 F\n0.114163 0.751807 0.380377 F\n0.619623 0.885837 0.248193 F\n",
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{
"id": "jvasp-90450",
"created_at": "2022-09-04T14:36:10.481800Z",
"updated_at": "2022-09-04T14:36:10.481835Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n6.356926 -1.703988 0.000000\n-4.654139 8.061316 0.000000\n0.000000 0.000000 4.524453\nK Mg Nb\n1 6 1\ndirect\n0.249870 0.374935 0.250000 K\n0.750020 0.375084 0.250000 Mg\n0.750019 0.874936 0.250000 Mg\n0.250038 0.094304 0.749999 Mg\n0.250053 0.655742 0.749999 Mg\n0.688561 0.094279 0.749999 Mg\n0.811431 0.655717 0.749999 Mg\n0.250012 0.875006 0.250000 Nb\n",
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{
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"created_at": "2022-09-04T14:36:30.653975Z",
"updated_at": "2022-09-04T14:36:30.654004Z",
"structure_string": "Li1 Ta1 F6\n1.0\n4.817041 -0.000000 2.781120\n1.605680 4.541550 2.781120\n-0.000000 0.000000 5.562239\nLi Ta F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.755377 0.244623 0.244623 F\n0.244623 0.755377 0.755377 F\n0.244623 0.755377 0.244623 F\n0.755377 0.244623 0.755377 F\n0.244623 0.244623 0.755377 F\n0.755377 0.755377 0.244624 F\n",
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{
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"structure_string": "Mg6 V1 Mo1\n1.0\n6.246740 -0.172265 0.000000\n-3.272556 5.323703 0.000000\n0.000000 0.000000 4.722579\nMg V Mo\n6 1 1\ndirect\n0.182369 0.838061 0.250000 Mg\n0.661938 0.317629 0.250000 Mg\n0.671717 0.828281 0.250000 Mg\n0.318638 0.665158 0.750000 Mg\n0.834840 0.181360 0.750000 Mg\n0.828698 0.671300 0.750000 Mg\n0.195952 0.304047 0.250000 V\n0.305842 0.194157 0.750000 Mo\n",
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