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{
"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",
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{
"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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{
"id": "jvasp-79047",
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"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",
"nsites": 4,
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"elements": [
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"volume": 99.1779669150298,
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"spacegroup": 139
},
{
"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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"elements": [
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"density": 1.5992741912992772,
"density_atomic": 0.04016924025560912,
"volume": 99.57868196029551,
"volume_molar": 14.991920986504308,
"formula_full": "Na1 Mg3",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"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",
"nsites": 8,
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"elements": [
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"density": 1.6748775947706316,
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"volume": 191.4714395361346,
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"formula_full": "Na1 Mg7",
"formula_reduced": "NaMg7",
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"spacegroup": 187
},
{
"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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"elements": [
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"chemical_system": "Mg-N",
"density": 1.6624580461448866,
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"volume": 136.20120092170373,
"volume_molar": 9.113586707017129,
"formula_full": "Mg1 N8",
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},
{
"id": "jvasp-118905",
"created_at": "2022-09-04T14:38:51.704185Z",
"updated_at": "2022-09-04T14:38:51.704194Z",
"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",
"nsites": 2,
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"elements": [
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},
{
"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",
"nsites": 3,
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"elements": [
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"density": 2.3158424447950687,
"density_atomic": 0.0799699294245886,
"volume": 37.51410088249472,
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"formula_full": "Mg1 N2",
"formula_reduced": "MgN2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"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",
"nsites": 2,
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"elements": [
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"density": 2.398834784272889,
"density_atomic": 0.07541362422376373,
"volume": 26.52040689711046,
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"formula_full": "Mg1 N1",
"formula_reduced": "MgN",
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"spacegroup": 123
},
{
"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",
"nsites": 3,
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"elements": [
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"density": 1.6943735156558268,
"density_atomic": 0.04888674657793362,
"volume": 61.366325435821345,
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"formula_full": "Mg2 N1",
"formula_reduced": "Mg2N",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"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",
"nsites": 4,
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"formula_full": "Mg1 N3",
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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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"spacegroup": 65
}
]
}