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{
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{
"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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{
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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",
"nsites": 40,
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"elements": [
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"density": 2.6969232462656674,
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"volume": 497.145927638823,
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"formula_full": "Mg24 N16",
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"formula_anonymous": "A2B3",
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"spacegroup": 206
},
{
"id": "jvasp-118914",
"created_at": "2022-09-04T14:38:48.369103Z",
"updated_at": "2022-09-04T14:38:48.369128Z",
"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",
"nsites": 3,
"nelements": 2,
"elements": [
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"chemical_system": "Mg-N",
"density": 1.0149266669498223,
"density_atomic": 0.03504712253181475,
"volume": 85.59903875922161,
"volume_molar": 17.18298201095761,
"formula_full": "Mg1 N2",
"formula_reduced": "MgN2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-39439",
"created_at": "2022-09-04T14:37:57.711161Z",
"updated_at": "2022-09-04T14:37:57.711186Z",
"structure_string": "Na2 Mg6\n1.0\n3.328985 -5.765970 0.000000\n3.328985 5.765970 -0.000000\n0.000000 0.000000 5.286462\nNa Mg\n2 6\ndirect\n0.666666 0.333332 0.750000 Na\n0.333332 0.666666 0.250000 Na\n0.162798 0.837201 0.750000 Mg\n0.162798 0.325598 0.750000 Mg\n0.674401 0.837200 0.750000 Mg\n0.325598 0.162798 0.250000 Mg\n0.837200 0.674401 0.250000 Mg\n0.837201 0.162798 0.250000 Mg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-Na",
"density": 1.569422847892163,
"density_atomic": 0.039419459016221466,
"volume": 202.94545383557718,
"volume_molar": 15.277076119999096,
"formula_full": "Na2 Mg6",
"formula_reduced": "NaMg3",
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"spacegroup": 194
},
{
"id": "jvasp-102962",
"created_at": "2022-09-04T14:36:35.474418Z",
"updated_at": "2022-09-04T14:36:35.474427Z",
"structure_string": "Na6 Mg2\n1.0\n7.168810 -0.000000 0.000000\n-3.584405 6.208372 -0.000000\n0.000000 0.000000 5.822436\nNa Mg\n6 2\ndirect\n0.170676 0.341352 0.250000 Na\n0.170676 0.829324 0.250000 Na\n0.658649 0.829324 0.250000 Na\n0.341352 0.170675 0.750001 Na\n0.829325 0.170675 0.750001 Na\n0.829325 0.658648 0.750001 Na\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750001 Mg\n",
"nsites": 8,
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"volume": 259.1370587672819,
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"formula_full": "Na6 Mg2",
"formula_reduced": "Na3Mg",
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"energy_above_hull": 0.0051424999999999,
"spacegroup": 194
},
{
"id": "jvasp-91893",
"created_at": "2022-09-04T14:37:52.360875Z",
"updated_at": "2022-09-04T14:37:52.360886Z",
"structure_string": "Na1 Mg7\n1.0\n6.506155 0.000000 -0.000000\n-3.253078 5.634495 0.000000\n0.000000 0.000000 5.223055\nNa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Na\n0.168765 0.834382 0.250000 Mg\n0.665618 0.331235 0.250000 Mg\n0.665617 0.834382 0.250000 Mg\n0.335585 0.164415 0.750001 Mg\n0.335585 0.671171 0.750001 Mg\n0.828829 0.164415 0.750001 Mg\n0.833333 0.666666 0.750001 Mg\n",
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"elements": [
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"density": 1.6748775947706316,
"density_atomic": 0.04178168827361971,
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"formula_full": "Na1 Mg7",
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"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-39220",
"created_at": "2022-09-04T14:37:43.558597Z",
"updated_at": "2022-09-04T14:37:43.558621Z",
"structure_string": "Na2 Mg2\n1.0\n3.287347 0.000000 0.000000\n0.000000 5.495943 -0.000000\n0.000000 0.000000 6.225410\nNa Mg\n2 2\ndirect\n0.500000 0.250000 0.348769 Na\n0.500000 0.750000 0.651231 Na\n0.000000 0.750000 0.134697 Mg\n0.000000 0.250000 0.865303 Mg\n",
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"formula_full": "Na2 Mg2",
"formula_reduced": "NaMg",
"formula_anonymous": "AB",
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"spacegroup": 51
},
{
"id": "jvasp-79162",
"created_at": "2022-09-04T14:37:51.134843Z",
"updated_at": "2022-09-04T14:37:51.134861Z",
"structure_string": "Na1 Mg3\n1.0\n6.675162 0.141042 0.000000\n-1.607717 2.784648 0.000000\n0.000000 0.000000 5.292591\nNa Mg\n1 3\ndirect\n0.158672 0.658672 0.250000 Na\n0.658961 0.658961 0.250000 Mg\n0.349408 0.349408 0.750000 Mg\n0.832960 0.332961 0.750000 Mg\n",
"nsites": 4,
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"volume": 99.57868196029551,
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"spacegroup": 25
},
{
"id": "jvasp-79047",
"created_at": "2022-09-04T14:37:12.384090Z",
"updated_at": "2022-09-04T14:37:12.384115Z",
"structure_string": "Na1 Mg3\n1.0\n-2.555702 2.555702 3.796075\n2.555702 -2.555702 3.796075\n2.555702 2.555702 -3.796075\nNa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.000000 Mg\n0.749999 0.250000 0.499999 Mg\n0.250000 0.749999 0.499999 Mg\n",
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},
{
"id": "jvasp-37733",
"created_at": "2022-09-04T14:38:35.667292Z",
"updated_at": "2022-09-04T14:38:35.667310Z",
"structure_string": "Na3 Mg1\n1.0\n-2.587706 2.587706 4.789389\n2.587706 -2.587706 4.789389\n2.587706 2.587706 -4.789389\nNa Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.749999 0.249999 0.500000 Na\n0.249999 0.749999 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "jvasp-38649",
"created_at": "2022-09-04T14:37:54.299258Z",
"updated_at": "2022-09-04T14:37:54.299275Z",
"structure_string": "Na1 Mg3\n1.0\n4.671610 0.000000 -0.000000\n0.000000 4.671610 0.000000\n-0.000000 0.000000 4.671610\nNa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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"spacegroup": 221
},
{
"id": "jvasp-106565",
"created_at": "2022-09-04T14:36:56.343945Z",
"updated_at": "2022-09-04T14:36:56.343967Z",
"structure_string": "Na3 Mg1\n1.0\n5.031355 -0.000000 0.000000\n0.000000 5.031355 0.000000\n-0.000000 0.000000 5.031355\nNa Mg\n3 1\ndirect\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
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}
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}