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{
"id": "jvasp-118920",
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"structure_string": "Mg2 N1\n1.0\n3.090808 0.000000 0.000000\n0.000000 3.473477 0.000000\n0.000000 0.000000 5.716019\nMg N\n2 1\ndirect\n-0.033330 0.000000 0.773020 Mg\n-0.033330 0.000000 0.226980 Mg\n0.466660 0.000000 0.000000 N\n",
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{
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"structure_string": "Mg1 N1\n1.0\n2.696985 -0.000000 0.000000\n-0.000000 2.698790 0.000000\n-0.000000 -0.000000 2.698790\nMg N\n1 1\ndirect\n0.005078 0.000000 0.000000 Mg\n0.504920 0.500000 0.500000 N\n",
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{
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"structure_string": "Mg1 N2\n1.0\n4.017179 0.000000 0.000000\n0.000000 7.025772 0.000000\n0.000000 0.000000 3.032869\nMg N\n1 2\ndirect\n0.000000 0.440000 0.000000 Mg\n0.138622 0.940000 0.000000 N\n0.861378 0.940000 0.000000 N\n",
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{
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"structure_string": "Mg24 N16\n1.0\n8.149401 -0.000000 -2.881249\n-4.074700 7.057588 -2.881249\n0.000000 0.000000 8.643744\nMg N\n24 16\ndirect\n0.458336 0.465451 0.228582 Mg\n0.229754 0.271418 0.736868 Mg\n0.034550 0.492887 0.763131 Mg\n0.492887 0.763132 0.034549 Mg\n0.736869 0.229754 0.271418 Mg\n0.007113 0.041664 0.270246 Mg\n0.465450 0.228582 0.458336 Mg\n0.965450 0.507113 0.236868 Mg\n0.270246 0.007113 0.041664 Mg\n0.770246 0.728582 0.263131 Mg\n0.771418 0.541664 0.534549 Mg\n0.541664 0.534550 0.771418 Mg\n0.236869 0.965451 0.507113 Mg\n0.728582 0.263131 0.770245 Mg\n0.958336 0.729755 0.992886 Mg\n0.507113 0.236869 0.965450 Mg\n0.263132 0.770246 0.728582 Mg\n0.729754 0.992887 0.958336 Mg\n0.228582 0.458336 0.465450 Mg\n0.534550 0.771418 0.541663 Mg\n0.763131 0.034550 0.492886 Mg\n0.271418 0.736869 0.229754 Mg\n0.041664 0.270246 0.007113 Mg\n0.992887 0.958337 0.729754 Mg\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.250000 0.719208 0.469208 N\n0.030792 0.750000 0.780792 N\n0.780792 0.030792 0.749999 N\n0.469208 0.250000 0.719208 N\n0.750000 0.780792 0.030792 N\n0.750000 0.280792 0.530792 N\n0.969208 0.250000 0.219208 N\n0.219208 0.969208 0.250000 N\n0.530792 0.750000 0.280792 N\n0.280792 0.530792 0.750000 N\n0.250000 0.219208 0.969207 N\n0.719208 0.469208 0.250000 N\n0.000000 0.500000 0.000000 N\n",
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{
"id": "jvasp-118912",
"created_at": "2022-09-04T14:38:53.764321Z",
"updated_at": "2022-09-04T14:38:53.764349Z",
"structure_string": "Mg1 N1\n1.0\n2.954586 0.000000 -0.000000\n0.000000 2.954586 0.000000\n0.000000 -0.000000 3.037994\nMg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 N\n",
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"formula_full": "Mg1 N1",
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{
"id": "jvasp-92886",
"created_at": "2022-09-04T14:36:04.488435Z",
"updated_at": "2022-09-04T14:36:04.488459Z",
"structure_string": "Mg6 Mo1 W1\n1.0\n6.116791 0.261380 0.000000\n-2.832033 4.905224 0.000000\n0.000000 0.000000 4.899655\nMg Mo W\n6 1 1\ndirect\n0.650840 0.325478 0.250000 Mg\n0.650840 0.825362 0.250000 Mg\n0.329764 0.164528 0.750001 Mg\n0.329764 0.665234 0.750001 Mg\n0.867877 0.183939 0.750001 Mg\n0.868175 0.684088 0.750001 Mg\n0.150297 0.325148 0.250000 Mo\n0.152445 0.826221 0.250000 W\n",
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{
"id": "jvasp-92903",
"created_at": "2022-09-04T14:35:51.629910Z",
"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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"spacegroup": 38
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{
"id": "jvasp-94094",
"created_at": "2022-09-04T14:36:18.408984Z",
"updated_at": "2022-09-04T14:36:18.409004Z",
"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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"formula_full": "Mg6 V1 Mo1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-94080",
"created_at": "2022-09-04T14:36:20.362676Z",
"updated_at": "2022-09-04T14:36:20.362695Z",
"structure_string": "Mg6 V1 Mo1\n1.0\n6.167307 0.204072 0.000000\n-2.906922 5.034935 0.000000\n0.000000 0.000000 4.906350\nMg V Mo\n6 1 1\ndirect\n0.653247 0.326744 0.250000 Mg\n0.653248 0.826503 0.250000 Mg\n0.329875 0.159863 0.750000 Mg\n0.329876 0.670014 0.750000 Mg\n0.862168 0.181084 0.750000 Mg\n0.863229 0.681615 0.750000 Mg\n0.157229 0.328614 0.250000 V\n0.151134 0.825567 0.250000 Mo\n",
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"spacegroup": 38
},
{
"id": "jvasp-116745",
"created_at": "2022-09-04T14:38:33.256564Z",
"updated_at": "2022-09-04T14:38:33.256574Z",
"structure_string": "Y2 Mg2 Mo2 S8\n1.0\n6.659063 0.000078 3.883893\n2.257337 6.174960 3.780144\n0.038953 -0.038854 7.583629\nY Mg Mo S\n2 2 2 8\ndirect\n0.500000 0.500001 0.499999 Y\n0.000000 0.499999 0.500001 Y\n0.874607 0.875398 0.875395 Mg\n0.125393 0.124603 0.124605 Mg\n0.500000 0.500000 -0.000001 Mo\n0.500000 0.000000 0.500000 Mo\n0.714741 0.756112 0.756114 S\n0.262515 0.241392 0.733582 S\n0.262509 0.733582 0.241393 S\n0.726965 0.243885 0.243890 S\n0.737489 0.266418 0.758607 S\n0.273035 0.756116 0.756109 S\n0.285259 0.243889 0.243885 S\n0.737486 0.758607 0.266417 S\n",
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{
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"created_at": "2022-09-04T14:38:49.151397Z",
"updated_at": "2022-09-04T14:38:49.151418Z",
"structure_string": "Mg2 Sc1 Mo3 S8\n1.0\n6.436946 0.001930 3.553012\n2.097454 6.085862 3.552491\n0.001901 0.001891 7.352397\nMg Sc Mo S\n2 1 3 8\ndirect\n0.877087 0.877086 0.877087 Mg\n0.122914 0.122917 0.122924 Mg\n0.499987 0.499992 0.500009 Sc\n0.500007 0.500005 -0.000006 Mo\n0.000002 0.499997 0.499997 Mo\n0.500002 -0.000001 0.499999 Mo\n0.739978 0.739980 0.739960 S\n0.254492 0.254497 0.723380 S\n0.254501 0.723375 0.254506 S\n0.723375 0.254502 0.254500 S\n0.745494 0.276627 0.745491 S\n0.276627 0.745496 0.745501 S\n0.260040 0.260027 0.260024 S\n0.745498 0.745490 0.276630 S\n",
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"formula_full": "Mg2 Sc1 Mo3 S8",
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{
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"created_at": "2022-09-04T14:35:49.815393Z",
"updated_at": "2022-09-04T14:35:49.815424Z",
"structure_string": "Sr1 Mg6 Mo1\n1.0\n6.387561 -1.711150 0.000000\n-4.675680 8.098516 0.000000\n0.000000 0.000000 4.268987\nSr Mg Mo\n1 6 1\ndirect\n0.249928 0.374964 0.250000 Sr\n0.750085 0.375111 0.250000 Mg\n0.750085 0.874974 0.250000 Mg\n0.250019 0.091492 0.750001 Mg\n0.250020 0.658529 0.750001 Mg\n0.682885 0.091444 0.750001 Mg\n0.817049 0.658524 0.750001 Mg\n0.249928 0.874965 0.250000 Mo\n",
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"formula_full": "Sr1 Mg6 Mo1",
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"spacegroup": 123
}
]
}