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{
"id": "jvasp-8290",
"created_at": "2022-09-04T14:37:05.814290Z",
"updated_at": "2022-09-04T14:37:05.814300Z",
"structure_string": "Mg1 Ni2 N2\n1.0\n3.495126 0.000000 0.000000\n0.000000 3.495069 0.000000\n0.000000 0.000000 5.145173\nMg Ni N\n1 2 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.500001 0.500000 0.980272 Ni\n0.500001 0.500000 0.519728 Ni\n0.500001 0.000000 0.496540 N\n0.000000 0.500000 0.003459 N\n",
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{
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"structure_string": "Mg4 Nb2 N6\n1.0\n5.227495 0.005799 2.236486\n1.576906 4.983986 2.236486\n0.006352 0.004658 5.740155\nMg Nb N\n4 2 6\ndirect\n0.754382 0.915862 0.077216 Mg\n0.084139 0.245620 0.422784 Mg\n0.245619 0.084140 0.922783 Mg\n0.915862 0.754381 0.577216 Mg\n0.410700 0.589301 0.750000 Nb\n0.589301 0.410700 0.250000 Nb\n0.096410 0.903591 0.750000 N\n0.903591 0.096410 0.250000 N\n0.729148 0.587464 0.424455 N\n0.412538 0.270853 0.075545 N\n0.270853 0.412538 0.575545 N\n0.587463 0.729148 0.924454 N\n",
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{
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"created_at": "2022-09-04T14:36:57.788578Z",
"updated_at": "2022-09-04T14:36:57.788588Z",
"structure_string": "Na2 Mg2 N2\n1.0\n3.539131 0.000000 0.000000\n-1.769565 3.064979 0.000000\n0.000000 0.000000 8.736827\nNa Mg N\n2 2 2\ndirect\n0.666667 0.333334 0.754931 Na\n0.333332 0.666667 0.254931 Na\n-0.000001 -0.000000 0.529302 Mg\n0.000001 0.000000 0.029302 Mg\n0.333332 0.666668 0.560409 N\n0.666666 0.333333 0.060409 N\n",
"nsites": 6,
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"elements": [
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"density": 2.1481870751941154,
"density_atomic": 0.06331015439946226,
"volume": 94.77152688875708,
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"formula_full": "Na2 Mg2 N2",
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"formula_anonymous": "ABC",
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"spacegroup": 186
},
{
"id": "jvasp-108649",
"created_at": "2022-09-04T14:38:19.485603Z",
"updated_at": "2022-09-04T14:38:19.485631Z",
"structure_string": "Mg1 Zr1 Ni2\n1.0\n3.809401 -0.000000 2.199359\n1.269800 3.591538 2.199359\n-0.000000 -0.000000 4.398717\nMg Zr Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750001 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.426653257302,
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"volume": 60.18152367080747,
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"formula_full": "Mg1 Zr1 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80146",
"created_at": "2022-09-04T14:37:12.729267Z",
"updated_at": "2022-09-04T14:37:12.729293Z",
"structure_string": "Mg1 Zn1 Ni2\n1.0\n-8.465443 0.000001 -4.887525\n-5.529080 0.200238 -0.198404\n-4.759234 2.377691 -1.531817\nMg Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 -0.000001 -0.000000 Zn\n0.738110 -0.000002 -0.000000 Ni\n0.261891 -0.000001 -0.000000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 5.90902612689068,
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"volume": 58.19892512559803,
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"formula_full": "Mg1 Zn1 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-50950",
"created_at": "2022-09-04T14:36:32.218930Z",
"updated_at": "2022-09-04T14:36:32.218953Z",
"structure_string": "Y4 Mg2 Ni4\n1.0\n7.356540 0.000142 0.000000\n0.000141 7.356637 0.000000\n0.000000 0.000000 3.723050\nY Mg Ni\n4 2 4\ndirect\n0.172083 0.672082 0.500000 Y\n0.327925 0.172077 0.500000 Y\n0.672078 0.827919 0.500000 Y\n0.827921 0.327915 0.500000 Y\n0.000003 -0.000003 0.000000 Mg\n0.500001 0.499997 0.000000 Mg\n0.122121 0.377879 0.000000 Ni\n0.377877 0.877872 0.000000 Ni\n0.622130 0.122124 0.000000 Ni\n0.877878 0.622122 0.000000 Ni\n",
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"volume": 201.48921108248845,
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"formula_full": "Y4 Mg2 Ni4",
"formula_reduced": "Y2MgNi2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "jvasp-15204",
"created_at": "2022-09-04T14:36:31.902262Z",
"updated_at": "2022-09-04T14:36:31.902287Z",
"structure_string": "Y1 Mg1 Ni4\n1.0\n4.285152 0.000000 2.474034\n1.428384 4.040080 2.474034\n0.000000 0.000000 4.948067\nY Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.623847 0.623848 0.623848 Ni\n0.623848 0.128455 0.623848 Ni\n0.623847 0.623848 0.128455 Ni\n0.128454 0.623848 0.623848 Ni\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-94091",
"created_at": "2022-09-04T14:36:10.937948Z",
"updated_at": "2022-09-04T14:36:10.937972Z",
"structure_string": "Mg6 Ni1 W1\n1.0\n6.063876 0.177115 0.000000\n-2.878552 4.985798 0.000000\n0.000000 0.000000 4.749204\nMg Ni W\n6 1 1\ndirect\n0.647819 0.324725 0.250000 Mg\n0.647819 0.823095 0.250000 Mg\n0.331370 0.159901 0.749999 Mg\n0.331370 0.671470 0.749999 Mg\n0.876812 0.188406 0.749999 Mg\n0.853867 0.676935 0.749999 Mg\n0.166026 0.333013 0.250000 Ni\n0.144921 0.822460 0.250000 W\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.4169142906042,
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"volume": 146.00523245593382,
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"formula_full": "Mg6 Ni1 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-94097",
"created_at": "2022-09-04T14:35:51.000764Z",
"updated_at": "2022-09-04T14:35:51.000781Z",
"structure_string": "Mg6 Ni1 W1\n1.0\n6.136312 -0.166949 0.000000\n-3.212739 5.230727 0.000000\n0.000000 0.000000 4.702060\nMg Ni W\n6 1 1\ndirect\n0.177174 0.846957 0.250000 Mg\n0.653043 0.322826 0.250000 Mg\n0.673971 0.826029 0.250000 Mg\n0.321924 0.666534 0.750000 Mg\n0.833466 0.178076 0.750000 Mg\n0.829717 0.670283 0.750000 Mg\n0.199780 0.300220 0.250000 Ni\n0.310925 0.189075 0.750000 W\n",
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{
"id": "jvasp-94124",
"created_at": "2022-09-04T14:35:56.295372Z",
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"structure_string": "Mg6 V1 Ni1\n1.0\n6.104857 0.141998 0.000000\n-2.929454 5.073964 0.000000\n0.000000 0.000000 4.728739\nMg V Ni\n6 1 1\ndirect\n0.651382 0.327085 0.250000 Mg\n0.651382 0.824295 0.250000 Mg\n0.328274 0.162716 0.750000 Mg\n0.328274 0.665558 0.750000 Mg\n0.872176 0.186088 0.750000 Mg\n0.850883 0.675441 0.750000 Mg\n0.147843 0.823920 0.250000 V\n0.169790 0.334894 0.250000 Ni\n",
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"formula_full": "Mg6 V1 Ni1",
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},
{
"id": "jvasp-94111",
"created_at": "2022-09-04T14:36:17.438696Z",
"updated_at": "2022-09-04T14:36:17.438723Z",
"structure_string": "Mg6 V1 Ni1\n1.0\n6.184466 -0.165438 0.000000\n-3.235507 5.273185 0.000000\n0.000000 0.000000 4.682208\nMg V Ni\n6 1 1\ndirect\n0.176899 0.848332 0.250000 Mg\n0.651669 0.323101 0.250000 Mg\n0.672926 0.827075 0.250000 Mg\n0.321498 0.661520 0.750000 Mg\n0.838480 0.178502 0.750000 Mg\n0.831589 0.668411 0.750000 Mg\n0.307549 0.192451 0.750000 V\n0.199391 0.300609 0.250000 Ni\n",
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"formula_full": "Mg6 V1 Ni1",
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"spacegroup": 38
},
{
"id": "jvasp-99884",
"created_at": "2022-09-04T14:36:36.676465Z",
"updated_at": "2022-09-04T14:36:36.676484Z",
"structure_string": "Tm4 Mg2 Ni4\n1.0\n7.266870 -0.000000 0.000000\n0.000000 7.266870 -0.000000\n-0.000000 0.000000 3.631340\nTm Mg Ni\n4 2 4\ndirect\n0.669077 0.169077 0.500000 Tm\n0.330923 0.830923 0.500000 Tm\n0.169077 0.330923 0.500000 Tm\n0.830923 0.669077 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125126 0.625126 0.000000 Ni\n0.874874 0.374874 0.000000 Ni\n0.625126 0.874874 0.000000 Ni\n0.374874 0.125126 0.000000 Ni\n",
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],
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"volume": 191.76162245220684,
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}