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{
"id": "mp-1016652",
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{
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"structure_string": "Mg12 Cr2 Mo2\n1.0\n4.744085 0.000000 0.000000\n0.000000 5.968801 0.000000\n0.000000 0.000000 11.021980\nMg Cr Mo\n12 2 2\ndirect\n0.000000 0.260528 0.079255 Mg\n0.000000 0.739472 0.079255 Mg\n0.000000 0.000000 0.328576 Mg\n0.500000 0.743664 0.422418 Mg\n0.500000 0.256336 0.422418 Mg\n0.500000 0.000000 0.170611 Mg\n0.000000 0.760528 0.579255 Mg\n0.000000 0.239472 0.579255 Mg\n0.000000 0.500000 0.828576 Mg\n0.500000 0.243664 0.922418 Mg\n0.500000 0.756336 0.922418 Mg\n0.500000 0.500000 0.670611 Mg\n0.000000 0.500000 0.304245 Cr\n0.000000 0.000000 0.804245 Cr\n0.500000 0.500000 0.193222 Mo\n0.500000 0.000000 0.693222 Mo\n",
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{
"id": "mp-1016650",
"created_at": "2022-09-04T14:42:29.238327Z",
"structure_string": "Ba1 Mg6 Nb1\n1.0\n6.759941 0.000000 0.000000\n0.000000 6.759941 0.000000\n0.000000 0.000000 4.504268\nBa Mg Nb\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.215452 0.784548 0.000000 Mg\n0.784548 0.215452 0.000000 Mg\n0.215452 0.215452 0.000000 Mg\n0.784548 0.784548 0.000000 Mg\n0.000000 0.000000 0.500000 Nb\n",
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"elements": [
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"formula_full": "Ba1 Mg6 Nb1",
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"updated_at": "2021-11-28T01:35:53.903000Z",
"spacegroup": 123
},
{
"id": "mp-1016648",
"created_at": "2022-09-04T14:39:21.680436Z",
"structure_string": "Mg12 B2 Mo2\n1.0\n4.532924 0.000000 0.000000\n0.000000 5.941834 0.000000\n0.000000 0.000000 11.341388\nMg B Mo\n12 2 2\ndirect\n0.000000 0.242532 0.575242 Mg\n0.000000 0.757468 0.575242 Mg\n0.000000 0.500000 0.828085 Mg\n0.500000 0.764153 0.908926 Mg\n0.500000 0.235847 0.908926 Mg\n0.500000 0.500000 0.674796 Mg\n0.000000 0.742532 0.075242 Mg\n0.000000 0.257468 0.075242 Mg\n0.000000 0.000000 0.328085 Mg\n0.500000 0.264153 0.408926 Mg\n0.500000 0.735847 0.408926 Mg\n0.500000 0.000000 0.174796 Mg\n0.500000 0.000000 0.738440 B\n0.500000 0.500000 0.238440 B\n0.000000 0.000000 0.790343 Mo\n0.000000 0.500000 0.290343 Mo\n",
"nsites": 16,
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"density": 2.7460890155789937,
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"spacegroup": 38
},
{
"id": "mp-1016647",
"created_at": "2022-09-04T14:46:37.212439Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n3.149559 -8.126582 0.000000\n3.149559 8.126582 0.000000\n0.000000 0.000000 3.960970\nBa Mg B\n1 6 1\ndirect\n0.224304 0.775696 0.000000 Ba\n0.187679 0.361674 0.000000 Mg\n0.638326 0.812321 0.000000 Mg\n0.647511 0.352489 0.000000 Mg\n0.290999 0.205248 0.500000 Mg\n0.794752 0.709001 0.500000 Mg\n0.807375 0.192625 0.500000 Mg\n0.409054 0.590946 0.500000 B\n",
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"elements": [
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"formula_full": "Ba1 Mg6 B1",
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"spacegroup": 38
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{
"id": "mp-1016646",
"created_at": "2022-09-04T14:45:43.229301Z",
"structure_string": "Mg12 Sb2 Mo2\n1.0\n5.003338 0.000000 0.000000\n0.000000 6.224908 0.000000\n0.000000 0.000000 10.534769\nMg Sb Mo\n12 2 2\ndirect\n0.000000 0.244195 0.081436 Mg\n0.000000 0.755805 0.081436 Mg\n0.000000 0.500000 0.834323 Mg\n0.500000 0.239980 0.914239 Mg\n0.500000 0.760020 0.914239 Mg\n0.500000 0.500000 0.666415 Mg\n0.000000 0.744195 0.581436 Mg\n0.000000 0.255805 0.581436 Mg\n0.000000 0.000000 0.334323 Mg\n0.500000 0.739980 0.414239 Mg\n0.500000 0.260020 0.414239 Mg\n0.500000 0.000000 0.166415 Mg\n0.500000 0.500000 0.175755 Sb\n0.500000 0.000000 0.675755 Sb\n0.000000 0.500000 0.332157 Mo\n0.000000 0.000000 0.832157 Mo\n",
"nsites": 16,
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"elements": [
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"density": 3.6796079851278085,
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"formula_full": "Mg12 Sb2 Mo2",
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"spacegroup": 38
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{
"id": "mp-1016645",
"created_at": "2022-09-04T14:48:17.093339Z",
"structure_string": "Mg12 Sb2 Mo2\n1.0\n5.128992 0.000000 0.000000\n0.000000 6.017440 0.000000\n0.000000 0.000000 10.787466\nMg Sb Mo\n12 2 2\ndirect\n0.500000 0.247721 0.417328 Mg\n0.500000 0.752279 0.417328 Mg\n0.000000 0.762793 0.083845 Mg\n0.000000 0.237207 0.083845 Mg\n0.000000 0.000000 0.325605 Mg\n0.000000 0.500000 0.336218 Mg\n0.500000 0.747721 0.917328 Mg\n0.500000 0.252279 0.917328 Mg\n0.000000 0.262793 0.583845 Mg\n0.000000 0.737207 0.583845 Mg\n0.000000 0.500000 0.825605 Mg\n0.000000 0.000000 0.836218 Mg\n0.500000 0.500000 0.168959 Sb\n0.500000 0.000000 0.668959 Sb\n0.500000 0.000000 0.166868 Mo\n0.500000 0.500000 0.666868 Mo\n",
"nsites": 16,
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{
"id": "mp-1016643",
"created_at": "2022-09-04T14:45:57.062675Z",
"structure_string": "Mg12 Mo2 C2\n1.0\n4.801778 0.000000 0.000000\n0.000000 5.525419 0.000000\n0.000000 0.000000 10.733868\nMg Mo C\n12 2 2\ndirect\n0.500000 0.249421 0.426636 Mg\n0.500000 0.750579 0.426636 Mg\n0.000000 0.755282 0.080587 Mg\n0.000000 0.244718 0.080587 Mg\n0.000000 0.000000 0.324458 Mg\n0.000000 0.500000 0.308877 Mg\n0.500000 0.749421 0.926636 Mg\n0.500000 0.250579 0.926636 Mg\n0.000000 0.255282 0.580587 Mg\n0.000000 0.744718 0.580587 Mg\n0.000000 0.500000 0.824458 Mg\n0.000000 0.000000 0.808877 Mg\n0.500000 0.000000 0.179663 Mo\n0.500000 0.500000 0.679663 Mo\n0.500000 0.500000 0.172551 C\n0.500000 0.000000 0.672551 C\n",
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{
"id": "mp-1016642",
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"structure_string": "Mg12 Ga2 Mo2\n1.0\n4.835722 0.000000 0.000000\n0.000000 6.185895 0.000000\n0.000000 0.000000 10.577767\nMg Ga Mo\n12 2 2\ndirect\n0.000000 0.254036 0.082830 Mg\n0.000000 0.745964 0.082830 Mg\n0.000000 0.500000 0.833726 Mg\n0.500000 0.238039 0.911254 Mg\n0.500000 0.761961 0.911254 Mg\n0.500000 0.500000 0.666197 Mg\n0.000000 0.754036 0.582830 Mg\n0.000000 0.245964 0.582830 Mg\n0.000000 0.000000 0.333726 Mg\n0.500000 0.738039 0.411254 Mg\n0.500000 0.261961 0.411254 Mg\n0.500000 0.000000 0.166197 Mg\n0.500000 0.500000 0.184137 Ga\n0.500000 0.000000 0.684137 Ga\n0.000000 0.500000 0.327772 Mo\n0.000000 0.000000 0.827772 Mo\n",
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{
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"structure_string": "Mg12 Cd2 Mo2\n1.0\n4.901079 0.000000 0.000000\n0.000000 6.204277 0.000000\n0.000000 0.000000 10.743151\nMg Cd Mo\n12 2 2\ndirect\n0.500000 0.252483 0.082783 Mg\n0.500000 0.747517 0.082783 Mg\n0.000000 0.237742 0.912801 Mg\n0.000000 0.762258 0.912801 Mg\n0.000000 0.500000 0.175264 Mg\n0.000000 0.500000 0.667360 Mg\n0.500000 0.752483 0.582783 Mg\n0.500000 0.247517 0.582783 Mg\n0.000000 0.737742 0.412801 Mg\n0.000000 0.262258 0.412801 Mg\n0.000000 0.000000 0.675264 Mg\n0.000000 0.000000 0.167360 Mg\n0.500000 0.500000 0.833769 Cd\n0.500000 0.000000 0.333769 Cd\n0.500000 0.500000 0.332442 Mo\n0.500000 0.000000 0.832442 Mo\n",
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{
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{
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]
}