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{
"id": "jvasp-94094",
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"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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{
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{
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"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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"volume": 151.75403437774003,
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"formula_full": "Mg6 Mo1 W1",
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"spacegroup": 38
},
{
"id": "jvasp-90218",
"created_at": "2022-09-04T14:36:09.520776Z",
"updated_at": "2022-09-04T14:36:09.520889Z",
"structure_string": "Mg1 N8\n1.0\n-3.040497 -3.040497 3.683255\n-3.040497 3.040497 -3.683255\n3.040497 -3.040497 -3.683255\nMg N\n1 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 N\n0.500000 -0.000000 0.500000 N\n0.764138 0.096019 0.668119 N\n0.235863 0.903982 0.331882 N\n0.572100 0.668119 0.903982 N\n0.427901 0.331882 0.096019 N\n0.000000 0.690518 0.690518 N\n0.000000 0.309483 0.309483 N\n",
"nsites": 9,
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"density": 1.6624580461448866,
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"volume": 136.20120092170373,
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"formula_full": "Mg1 N8",
"formula_reduced": "MgN8",
"formula_anonymous": "AB8",
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"spacegroup": 87
},
{
"id": "jvasp-118925",
"created_at": "2022-09-04T14:38:51.924515Z",
"updated_at": "2022-09-04T14:38:51.924554Z",
"structure_string": "Mg2 N1\n1.0\n3.051621 0.000000 -0.422071\n0.000000 3.710630 0.000000\n-0.730341 0.000000 5.716280\nMg N\n2 1\ndirect\n-0.147004 0.000000 -0.098607 Mg\n0.080336 0.000000 0.365271 Mg\n0.466667 0.000000 0.133336 N\n",
"nsites": 3,
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"elements": [
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"density": 1.635274541581206,
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"volume": 63.584110146442214,
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"formula_full": "Mg2 N1",
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},
{
"id": "jvasp-118920",
"created_at": "2022-09-04T14:38:53.650199Z",
"updated_at": "2022-09-04T14:38:53.650225Z",
"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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"spacegroup": 47
},
{
"id": "jvasp-118927",
"created_at": "2022-09-04T14:38:51.735997Z",
"updated_at": "2022-09-04T14:38:51.736022Z",
"structure_string": "Mg1 N2\n1.0\n4.159654 0.000000 -0.041462\n0.000000 3.124036 0.000000\n0.028756 0.000000 2.886544\nMg N\n1 2\ndirect\n0.466657 0.000000 -0.199945 Mg\n-0.180275 0.000000 0.299962 N\n0.113618 0.000000 0.299983 N\n",
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"volume": 37.51410088249472,
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"spacegroup": 47
},
{
"id": "jvasp-118908",
"created_at": "2022-09-04T14:38:53.116137Z",
"updated_at": "2022-09-04T14:38:53.116165Z",
"structure_string": "Mg2 N1\n1.0\n4.122132 -0.000000 -0.000000\n-2.061066 3.569871 0.000000\n0.000000 0.000000 3.830780\nMg N\n2 1\ndirect\n0.333333 0.666667 0.000000 Mg\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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"spacegroup": 191
},
{
"id": "jvasp-114348",
"created_at": "2022-09-04T14:38:40.799882Z",
"updated_at": "2022-09-04T14:38:40.799890Z",
"structure_string": "Mg3 N1\n1.0\n4.197398 0.363250 -0.665749\n2.615148 -5.601776 -0.214735\n-0.263439 -1.854677 -2.657191\nMg N\n3 1\ndirect\n0.131218 0.061018 0.004471 Mg\n0.487533 0.348423 0.225366 Mg\n0.843824 0.635948 0.446179 Mg\n-0.012461 0.348469 0.225351 N\n",
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"spacegroup": 65
},
{
"id": "jvasp-114349",
"created_at": "2022-09-04T14:38:40.381614Z",
"updated_at": "2022-09-04T14:38:40.381645Z",
"structure_string": "Mg1 N3\n1.0\n4.477467 -0.130142 0.199258\n-0.508000 -3.601094 0.828358\n-1.644914 2.388364 -3.678222\nMg N\n1 3\ndirect\n-0.007287 0.017150 0.863252 Mg\n0.897771 0.652124 0.028751 N\n0.603383 0.478994 -0.025844 N\n0.540757 0.422510 0.186845 N\n",
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{
"id": "jvasp-114350",
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"updated_at": "2022-09-04T14:38:40.555262Z",
"structure_string": "Mg2 N2\n1.0\n3.448280 -0.007438 -0.496614\n1.123129 -4.602227 -0.154351\n1.291320 0.428399 -3.188162\nMg N\n2 2\ndirect\n0.948118 0.036809 -0.031255 Mg\n0.499884 0.540135 0.694589 Mg\n0.607826 0.090085 0.639655 N\n0.022661 0.742821 0.431706 N\n",
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{
"id": "jvasp-20167",
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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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}