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"structure_string": "Mg6 Cr1 B1\n1.0\n6.771141 1.508280 0.000000\n-2.079361 6.618119 0.000000\n0.000000 0.000000 3.263100\nMg Cr B\n6 1 1\ndirect\n0.216177 0.954970 0.250000 Mg\n0.545030 0.283823 0.250000 Mg\n0.658867 0.841133 0.250000 Mg\n0.363107 0.607220 0.750000 Mg\n0.892780 0.136893 0.750000 Mg\n0.911413 0.588587 0.750000 Mg\n0.148763 0.351237 0.250000 Cr\n0.263863 0.236137 0.750000 B\n",
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"structure_string": "Hf1 Mg6 Mo1\n1.0\n6.337719 -0.146445 0.000000\n-3.295685 5.415403 0.000000\n0.000000 0.000000 4.881931\nHf Mg Mo\n1 6 1\ndirect\n0.301624 0.198376 0.750000 Hf\n0.179865 0.828439 0.250000 Mg\n0.671560 0.320133 0.250000 Mg\n0.674414 0.825584 0.250000 Mg\n0.316228 0.672066 0.750000 Mg\n0.827933 0.183770 0.750000 Mg\n0.830313 0.669685 0.750000 Mg\n0.198059 0.301941 0.250000 Mo\n",
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{
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"created_at": "2022-09-04T14:36:00.553173Z",
"updated_at": "2022-09-04T14:36:00.553207Z",
"structure_string": "Ba1 Mg6 C1\n1.0\n10.330956 2.657858 0.000000\n-2.863706 4.960084 0.000000\n0.000000 0.000000 3.576796\nBa Mg C\n1 6 1\ndirect\n0.073939 0.286969 0.250000 Ba\n0.585514 0.290469 0.250000 Mg\n0.585514 0.795044 0.250000 Mg\n0.356986 0.159148 0.750001 Mg\n0.356986 0.697839 0.750001 Mg\n0.782363 0.141183 0.750001 Mg\n0.847867 0.673933 0.750001 Mg\n0.410831 0.955415 0.250000 C\n",
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"formula_full": "Ba1 Mg6 C1",
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{
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"structure_string": "Ba1 Mg6 C1\n1.0\n8.006859 0.052840 0.000000\n-3.957669 6.960563 0.000000\n0.000000 0.000000 3.467865\nBa Mg C\n1 6 1\ndirect\n0.152314 0.347686 0.250000 Ba\n0.202273 0.956170 0.250000 Mg\n0.543830 0.297726 0.250000 Mg\n0.713584 0.786416 0.250000 Mg\n0.367523 0.790436 0.750001 Mg\n0.709563 0.132477 0.750001 Mg\n0.912791 0.587208 0.750001 Mg\n0.398121 0.101879 0.750001 C\n",
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{
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"created_at": "2022-09-04T14:35:55.703474Z",
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"structure_string": "Hf1 Mg6 Mo1\n1.0\n6.325007 0.315658 0.000000\n-2.889135 5.004129 0.000000\n0.000000 0.000000 5.022970\nHf Mg Mo\n1 6 1\ndirect\n0.150447 0.825223 0.250000 Hf\n0.650305 0.325368 0.250000 Mg\n0.650304 0.824936 0.250000 Mg\n0.332374 0.172779 0.750000 Mg\n0.332374 0.659596 0.750000 Mg\n0.878683 0.189342 0.750000 Mg\n0.849253 0.674627 0.750000 Mg\n0.156260 0.328129 0.250000 Mo\n",
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"updated_at": "2022-09-04T14:35:51.629928Z",
"structure_string": "Mg6 Mo1 W1\n1.0\n6.181522 -0.153328 0.000000\n-3.223547 5.276691 0.000000\n0.000000 0.000000 4.724049\nMg Mo W\n6 1 1\ndirect\n0.183153 0.835270 0.250000 Mg\n0.664730 0.316846 0.250000 Mg\n0.670311 0.829688 0.250000 Mg\n0.317228 0.666414 0.750000 Mg\n0.833586 0.182771 0.750000 Mg\n0.829895 0.670104 0.750000 Mg\n0.190714 0.309285 0.250000 Mo\n0.310381 0.189619 0.750000 W\n",
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{
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"structure_string": "Mg6 Cr1 Mo1\n1.0\n6.203551 -0.178988 0.000000\n-3.256783 5.282939 0.000000\n0.000000 0.000000 4.641321\nMg Cr Mo\n6 1 1\ndirect\n0.181967 0.840318 0.250000 Mg\n0.659682 0.318033 0.250000 Mg\n0.671473 0.828527 0.250000 Mg\n0.317072 0.662027 0.750000 Mg\n0.837973 0.182928 0.750000 Mg\n0.829619 0.670381 0.750000 Mg\n0.196150 0.303850 0.250000 Cr\n0.306066 0.193934 0.750000 Mo\n",
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{
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"created_at": "2022-09-04T14:35:43.894051Z",
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"structure_string": "Mg6 B1 Mo1\n1.0\n6.373276 -0.249853 0.000000\n-3.403017 5.394492 0.000000\n0.000000 0.000000 4.542207\nMg B Mo\n6 1 1\ndirect\n0.181827 0.832675 0.250000 Mg\n0.667325 0.318173 0.250000 Mg\n0.671848 0.828152 0.250000 Mg\n0.327273 0.644783 0.750000 Mg\n0.855218 0.172727 0.750000 Mg\n0.825242 0.674759 0.750000 Mg\n0.260833 0.239167 0.750000 B\n0.210434 0.289566 0.250000 Mo\n",
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"created_at": "2022-09-04T14:36:21.282621Z",
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"structure_string": "Ba1 Mg6 B1\n1.0\n8.611170 -1.380198 0.000000\n-5.500871 6.767394 0.000000\n0.000000 0.000000 3.964940\nBa Mg B\n1 6 1\ndirect\n0.224617 0.275383 0.250000 Ba\n0.184913 0.858906 0.250000 Mg\n0.641093 0.315086 0.250000 Mg\n0.647519 0.852480 0.250000 Mg\n0.290452 0.703801 0.750000 Mg\n0.796198 0.209547 0.750000 Mg\n0.803481 0.696518 0.750000 Mg\n0.411723 0.088277 0.750000 B\n",
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"structure_string": "Ca2 Mn4 S8\n1.0\n6.045832 -0.000000 -3.174139\n-1.666463 5.811626 -3.174139\n0.395010 0.524197 8.097248\nCa Mn S\n2 4 8\ndirect\n0.375000 0.625001 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.775113 0.793136 0.550226 S\n0.742910 0.224888 0.949774 S\n0.206865 0.224888 0.949775 S\n0.224887 0.206865 0.449774 S\n0.224887 0.742911 0.449775 S\n0.257090 0.775113 0.050226 S\n0.775113 0.257090 0.550226 S\n0.793135 0.775113 0.050226 S\n",
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"structure_string": "Mg6 Sb1 Mo1\n1.0\n6.098076 0.084399 0.000000\n-2.975946 5.323288 0.000000\n0.000000 0.000000 5.002929\nMg Sb Mo\n6 1 1\ndirect\n0.161357 0.824855 0.250000 Mg\n0.675145 0.338643 0.250000 Mg\n0.664985 0.835016 0.250000 Mg\n0.326140 0.652521 0.750000 Mg\n0.847480 0.173860 0.750000 Mg\n0.833253 0.666748 0.750000 Mg\n0.326272 0.173728 0.750000 Sb\n0.165370 0.334630 0.250000 Mo\n",
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