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{
"id": "mp-1017220",
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"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.934131 0.000000 0.000000\n0.000000 6.934131 0.000000\n0.000000 0.000000 4.182432\nRb Mg Mo\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.704781 0.295219 0.000000 Mg\n0.295219 0.704781 0.000000 Mg\n0.704781 0.704781 0.000000 Mg\n0.295219 0.295219 0.000000 Mg\n0.500000 0.500000 0.500000 Mo\n",
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{
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"structure_string": "Mg12 Cd2 C2\n1.0\n3.558998 0.000000 0.000000\n0.000000 8.712099 0.000000\n0.000000 0.000000 10.147521\nMg Cd C\n12 2 2\ndirect\n0.500000 0.757397 0.853682 Mg\n0.500000 0.242603 0.853682 Mg\n0.000000 0.665203 0.117302 Mg\n0.000000 0.334797 0.117302 Mg\n0.000000 0.500000 0.836972 Mg\n0.000000 0.500000 0.375916 Mg\n0.500000 0.257397 0.353682 Mg\n0.500000 0.742603 0.353682 Mg\n0.000000 0.165203 0.617302 Mg\n0.000000 0.834797 0.617302 Mg\n0.000000 0.000000 0.336972 Mg\n0.000000 0.000000 0.875916 Mg\n0.500000 0.500000 0.610266 Cd\n0.500000 0.000000 0.110266 Cd\n0.500000 0.500000 0.234872 C\n0.500000 0.000000 0.734872 C\n",
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{
"id": "mp-1017229",
"created_at": "2022-09-04T14:43:53.254947Z",
"structure_string": "Mg12 B2 C2\n1.0\n3.396791 0.000000 0.000000\n0.000000 7.712337 0.000000\n0.000000 0.000000 10.331537\nMg B C\n12 2 2\ndirect\n0.000000 0.679254 0.113477 Mg\n0.000000 0.320746 0.113477 Mg\n0.000000 0.500000 0.877941 Mg\n0.500000 0.813257 0.880197 Mg\n0.500000 0.186743 0.880197 Mg\n0.500000 0.500000 0.634804 Mg\n0.000000 0.179254 0.613477 Mg\n0.000000 0.820746 0.613477 Mg\n0.000000 0.000000 0.377941 Mg\n0.500000 0.313257 0.380197 Mg\n0.500000 0.686743 0.380197 Mg\n0.500000 0.000000 0.134804 Mg\n0.000000 0.500000 0.473254 B\n0.000000 0.000000 0.973254 B\n0.500000 0.500000 0.026654 C\n0.500000 0.000000 0.526654 C\n",
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"density": 2.0694267400295643,
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"formula_full": "Mg12 B2 C2",
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{
"id": "mp-1017230",
"created_at": "2022-09-04T14:42:05.334917Z",
"structure_string": "Mg6 Bi1 B1\n1.0\n4.390967 -5.119517 0.000000\n4.390967 5.119517 0.000000\n0.000000 0.000000 3.884742\nMg Bi B\n6 1 1\ndirect\n0.404973 0.113506 0.500000 Mg\n0.886494 0.595027 0.500000 Mg\n0.049474 0.285268 0.000000 Mg\n0.714732 0.950526 0.000000 Mg\n0.633323 0.366677 0.000000 Mg\n0.150387 0.849613 0.000000 Mg\n0.385467 0.614533 0.500000 Bi\n0.775159 0.224841 0.500000 B\n",
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{
"id": "mp-1017241",
"created_at": "2022-09-04T14:43:11.523582Z",
"structure_string": "Mg6 Ga1 B1\n1.0\n4.019853 -4.791016 0.000000\n4.019853 4.791016 0.000000\n0.000000 0.000000 4.044875\nMg Ga B\n6 1 1\ndirect\n0.841319 0.614903 0.000000 Mg\n0.385097 0.158681 0.000000 Mg\n0.357578 0.642422 0.000000 Mg\n0.687918 0.949817 0.500000 Mg\n0.050183 0.312082 0.500000 Mg\n0.130626 0.869374 0.500000 Mg\n0.563556 0.436444 0.500000 Ga\n0.983722 0.016278 0.000000 B\n",
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"spacegroup": 38
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{
"id": "mp-1017242",
"created_at": "2022-09-04T14:42:41.708231Z",
"structure_string": "Na2 Mg12 Bi2\n1.0\n5.209996 0.000000 0.000000\n0.000000 6.643530 0.000000\n0.000000 0.000000 11.421268\nNa Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.334946 Na\n0.000000 0.000000 0.834946 Na\n0.000000 0.243562 0.079771 Mg\n0.000000 0.756438 0.079771 Mg\n0.000000 0.500000 0.835639 Mg\n0.500000 0.254815 0.917710 Mg\n0.500000 0.745185 0.917710 Mg\n0.500000 0.500000 0.667403 Mg\n0.000000 0.743562 0.579771 Mg\n0.000000 0.256438 0.579771 Mg\n0.000000 0.000000 0.335639 Mg\n0.500000 0.754815 0.417710 Mg\n0.500000 0.245185 0.417710 Mg\n0.500000 0.000000 0.167403 Mg\n0.500000 0.500000 0.167050 Bi\n0.500000 0.000000 0.667050 Bi\n",
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"elements": [
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"formula_full": "Na2 Mg12 Bi2",
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{
"id": "mp-1017243",
"created_at": "2022-09-04T14:41:32.057261Z",
"structure_string": "Na2 Mg12 Bi2\n1.0\n5.332494 0.000000 0.000000\n0.000000 6.442074 0.000000\n0.000000 0.000000 11.562661\nNa Mg Bi\n2 12 2\ndirect\n0.500000 0.000000 0.167314 Na\n0.500000 0.500000 0.667314 Na\n0.500000 0.248273 0.416347 Mg\n0.500000 0.751727 0.416347 Mg\n0.000000 0.753656 0.080017 Mg\n0.000000 0.246344 0.080017 Mg\n0.000000 0.000000 0.335487 Mg\n0.000000 0.500000 0.338436 Mg\n0.500000 0.748273 0.916347 Mg\n0.500000 0.251727 0.916347 Mg\n0.000000 0.253656 0.580017 Mg\n0.000000 0.746344 0.580017 Mg\n0.000000 0.500000 0.835487 Mg\n0.000000 0.000000 0.838436 Mg\n0.500000 0.500000 0.166031 Bi\n0.500000 0.000000 0.666031 Bi\n",
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"formula_full": "Na2 Mg12 Bi2",
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{
"id": "mp-1017245",
"created_at": "2022-09-04T14:39:58.516042Z",
"structure_string": "Na2 Mg12 Sb2\n1.0\n5.173061 0.000000 0.000000\n0.000000 6.571868 0.000000\n0.000000 0.000000 11.266012\nNa Mg Sb\n2 12 2\ndirect\n0.000000 0.500000 0.333648 Na\n0.000000 0.000000 0.833648 Na\n0.000000 0.247451 0.081192 Mg\n0.000000 0.752549 0.081192 Mg\n0.000000 0.500000 0.835508 Mg\n0.500000 0.253578 0.917410 Mg\n0.500000 0.746422 0.917410 Mg\n0.500000 0.500000 0.667097 Mg\n0.000000 0.747451 0.581192 Mg\n0.000000 0.252549 0.581192 Mg\n0.000000 0.000000 0.335508 Mg\n0.500000 0.753578 0.417410 Mg\n0.500000 0.246422 0.417410 Mg\n0.500000 0.000000 0.167097 Mg\n0.500000 0.500000 0.166545 Sb\n0.500000 0.000000 0.666545 Sb\n",
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{
"id": "mp-1017247",
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"structure_string": "Hf2 Mg12 B2\n1.0\n4.697418 0.000000 0.000000\n0.000000 6.297851 0.000000\n0.000000 0.000000 10.993418\nHf Mg B\n2 12 2\ndirect\n0.500000 0.500000 0.189880 Hf\n0.500000 0.000000 0.689880 Hf\n0.000000 0.744690 0.091248 Mg\n0.000000 0.255310 0.091248 Mg\n0.000000 0.000000 0.331624 Mg\n0.500000 0.255252 0.423189 Mg\n0.500000 0.744748 0.423189 Mg\n0.500000 0.000000 0.170097 Mg\n0.000000 0.244690 0.591248 Mg\n0.000000 0.755310 0.591248 Mg\n0.000000 0.500000 0.831624 Mg\n0.500000 0.755252 0.923189 Mg\n0.500000 0.244748 0.923189 Mg\n0.500000 0.500000 0.670097 Mg\n0.000000 0.500000 0.279524 B\n0.000000 0.000000 0.779524 B\n",
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{
"id": "mp-1017252",
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"structure_string": "Mg12 Ga2 C2\n1.0\n4.659343 0.000000 0.000000\n0.000000 5.933251 0.000000\n0.000000 0.000000 11.398989\nMg Ga C\n12 2 2\ndirect\n0.000000 0.273371 0.104225 Mg\n0.000000 0.726629 0.104225 Mg\n0.000000 0.000000 0.336113 Mg\n0.500000 0.746711 0.424028 Mg\n0.500000 0.253289 0.424028 Mg\n0.500000 0.000000 0.169888 Mg\n0.000000 0.773371 0.604225 Mg\n0.000000 0.226629 0.604225 Mg\n0.000000 0.500000 0.836113 Mg\n0.500000 0.246711 0.924028 Mg\n0.500000 0.753289 0.924028 Mg\n0.500000 0.500000 0.669888 Mg\n0.000000 0.500000 0.368806 Ga\n0.000000 0.000000 0.868806 Ga\n0.500000 0.500000 0.068686 C\n0.500000 0.000000 0.568686 C\n",
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{
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"structure_string": "Mg12 Ga2 Sb2\n1.0\n5.214670 0.000000 0.000000\n0.000000 6.433136 0.000000\n0.000000 0.000000 10.742211\nMg Ga Sb\n12 2 2\ndirect\n0.500000 0.249240 0.583910 Mg\n0.500000 0.750760 0.583910 Mg\n0.000000 0.254565 0.415854 Mg\n0.000000 0.745435 0.415854 Mg\n0.000000 0.000000 0.668698 Mg\n0.000000 0.000000 0.166276 Mg\n0.500000 0.749240 0.083910 Mg\n0.500000 0.250760 0.083910 Mg\n0.000000 0.754565 0.915854 Mg\n0.000000 0.245435 0.915854 Mg\n0.000000 0.500000 0.168698 Mg\n0.000000 0.500000 0.666276 Mg\n0.500000 0.000000 0.832593 Ga\n0.500000 0.500000 0.332593 Ga\n0.500000 0.000000 0.332909 Sb\n0.500000 0.500000 0.832909 Sb\n",
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{
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"structure_string": "Mg12 Bi2 B2\n1.0\n4.507904 0.000000 0.000000\n0.000000 6.020801 0.000000\n0.000000 0.000000 13.237134\nMg Bi B\n12 2 2\ndirect\n0.000000 0.757604 0.060392 Mg\n0.000000 0.242396 0.060392 Mg\n0.000000 0.000000 0.323228 Mg\n0.500000 0.275810 0.398800 Mg\n0.500000 0.724190 0.398800 Mg\n0.500000 0.000000 0.180425 Mg\n0.000000 0.257604 0.560392 Mg\n0.000000 0.742396 0.560392 Mg\n0.000000 0.500000 0.823228 Mg\n0.500000 0.775810 0.898800 Mg\n0.500000 0.224190 0.898800 Mg\n0.500000 0.500000 0.680425 Mg\n0.500000 0.500000 0.160345 Bi\n0.500000 0.000000 0.660345 Bi\n0.000000 0.500000 0.417618 B\n0.000000 0.000000 0.917618 B\n",
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"total_magnetization": 0.0020138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.597000Z",
"spacegroup": 38
}
]
}