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{
"id": "mp-1017243",
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"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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{
"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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"formula_full": "Na2 Mg12 Bi2",
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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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"formula_full": "Mg6 Ga1 B1",
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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",
"nsites": 8,
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"density": 3.476156858725823,
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"updated_at": "2021-11-28T01:35:34.193000Z",
"spacegroup": 38
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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",
"nsites": 16,
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"elements": [
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"density": 2.0694267400295643,
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"volume": 270.65730917780866,
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"formula_full": "Mg12 B2 C2",
"formula_reduced": "Mg6BC",
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"updated_at": "2021-11-28T01:36:25.961000Z",
"spacegroup": 38
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{
"id": "mp-1017221",
"created_at": "2022-09-04T14:41:28.749918Z",
"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",
"nsites": 16,
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"elements": [
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],
"chemical_system": "C-Cd-Mg",
"density": 2.8525746804723067,
"density_atomic": 0.050852168582555646,
"volume": 314.63751588144953,
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"formula_full": "Mg12 Cd2 C2",
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"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:09.909000Z",
"spacegroup": 38
},
{
"id": "mp-1017220",
"created_at": "2022-09-04T14:40:23.741620Z",
"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",
"nsites": 8,
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"elements": [
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"density": 2.702088622279403,
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"volume": 201.10041783524056,
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"formula_full": "Rb1 Mg6 Mo1",
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"spacegroup": 123
},
{
"id": "mp-1017215",
"created_at": "2022-09-04T14:48:11.043311Z",
"structure_string": "Cs2 Ba2 Mg12\n1.0\n5.457150 0.000000 0.000000\n0.000000 7.673083 0.000000\n0.000000 0.000000 12.639335\nCs Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.344050 Cs\n0.000000 0.000000 0.844050 Cs\n0.500000 0.500000 0.158389 Ba\n0.500000 0.000000 0.658389 Ba\n0.000000 0.783196 0.086945 Mg\n0.000000 0.216804 0.086945 Mg\n0.000000 0.500000 0.831725 Mg\n0.500000 0.701584 0.912649 Mg\n0.500000 0.298416 0.912649 Mg\n0.500000 0.500000 0.666648 Mg\n0.000000 0.283196 0.586945 Mg\n0.000000 0.716804 0.586945 Mg\n0.000000 0.000000 0.331725 Mg\n0.500000 0.201584 0.412649 Mg\n0.500000 0.798416 0.412649 Mg\n0.500000 0.000000 0.166648 Mg\n",
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"elements": [
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{
"id": "mp-1017207",
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"structure_string": "Mg6 Cd1 C1\n1.0\n3.191184 -5.573019 0.000000\n3.191184 5.573019 0.000000\n0.000000 0.000000 4.618117\nMg Cd C\n6 1 1\ndirect\n0.179954 0.399561 0.000000 Mg\n0.600439 0.820046 0.000000 Mg\n0.665247 0.334753 0.000000 Mg\n0.332440 0.179679 0.500000 Mg\n0.820321 0.667560 0.500000 Mg\n0.840582 0.159418 0.500000 Mg\n0.129218 0.870782 0.000000 Cd\n0.431799 0.568201 0.500000 C\n",
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{
"id": "mp-1017202",
"created_at": "2022-09-04T14:48:06.315372Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n3.220334 -5.577781 0.000000\n3.220334 5.577781 0.000000\n0.000000 0.000000 5.117842\nRb Mg W\n1 6 1\ndirect\n0.333333 0.666667 0.500000 Rb\n0.814687 0.629373 0.500000 Mg\n0.370627 0.185313 0.500000 Mg\n0.814687 0.185313 0.500000 Mg\n0.156812 0.313624 0.000000 Mg\n0.686376 0.843188 0.000000 Mg\n0.156812 0.843188 0.000000 Mg\n0.666667 0.333333 0.000000 W\n",
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"formula_full": "Rb1 Mg6 W1",
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"spacegroup": 187
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{
"id": "mp-1017201",
"created_at": "2022-09-04T14:41:16.171713Z",
"structure_string": "Mg12 Cd2 Sb2\n1.0\n5.359420 0.000000 0.000000\n0.000000 6.202689 0.000000\n0.000000 0.000000 11.077013\nMg Cd Sb\n12 2 2\ndirect\n0.000000 0.253282 0.088738 Mg\n0.000000 0.746718 0.088738 Mg\n0.000000 0.000000 0.332145 Mg\n0.500000 0.747612 0.409494 Mg\n0.500000 0.252388 0.409494 Mg\n0.500000 0.000000 0.166460 Mg\n0.000000 0.753282 0.588738 Mg\n0.000000 0.246718 0.588738 Mg\n0.000000 0.500000 0.832145 Mg\n0.500000 0.247612 0.909494 Mg\n0.500000 0.752388 0.909494 Mg\n0.500000 0.500000 0.666460 Mg\n0.000000 0.500000 0.353492 Cd\n0.000000 0.000000 0.853492 Cd\n0.500000 0.500000 0.151440 Sb\n0.500000 0.000000 0.651440 Sb\n",
"nsites": 16,
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"volume": 368.2310992327706,
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"formula_full": "Mg12 Cd2 Sb2",
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"spacegroup": 38
},
{
"id": "mp-1017200",
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"structure_string": "Hf2 Mg12 Cd2\n1.0\n5.032969 0.000000 0.000000\n0.000000 6.367914 0.000000\n0.000000 0.000000 11.068130\nHf Mg Cd\n2 12 2\ndirect\n0.500000 0.500000 0.169382 Hf\n0.500000 0.000000 0.669382 Hf\n0.000000 0.747345 0.083693 Mg\n0.000000 0.252655 0.083693 Mg\n0.000000 0.000000 0.332590 Mg\n0.500000 0.251572 0.418790 Mg\n0.500000 0.748428 0.418790 Mg\n0.500000 0.000000 0.165573 Mg\n0.000000 0.247345 0.583693 Mg\n0.000000 0.752655 0.583693 Mg\n0.000000 0.500000 0.832590 Mg\n0.500000 0.751572 0.918790 Mg\n0.500000 0.248428 0.918790 Mg\n0.500000 0.500000 0.665573 Mg\n0.000000 0.500000 0.327490 Cd\n0.000000 0.000000 0.827490 Cd\n",
"nsites": 16,
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]
}