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{
"id": "jvasp-78478",
"created_at": "2022-09-04T14:37:02.271428Z",
"updated_at": "2022-09-04T14:37:02.271453Z",
"structure_string": "Mg1 Nb2\n1.0\n2.181056 1.715836 -0.666448\n2.181056 -1.715836 -0.666448\n0.049841 0.000000 -7.633063\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.327572 0.327572 0.344659 Nb\n0.672430 0.672430 0.655341 Nb\n",
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{
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"structure_string": "Mg1 Nb3\n1.0\n4.192384 -0.000000 0.000000\n0.000000 4.192384 0.000000\n0.000000 0.000000 4.192384\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n-0.000000 0.500000 0.500000 Nb\n",
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{
"id": "jvasp-78471",
"created_at": "2022-09-04T14:37:11.030642Z",
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"structure_string": "Mg1 Nb2\n1.0\n-1.453343 -2.517264 -0.000000\n1.453343 -2.517264 -0.000000\n-0.000000 -1.678175 7.822947\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222352 0.222352 0.332943 Nb\n0.777647 0.777647 0.667058 Nb\n",
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"formula_full": "Mg1 Nb2",
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"spacegroup": 166
},
{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
"nsites": 3,
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"elements": [
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"volume": 57.24795852847008,
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"formula_full": "Mg1 Nb2",
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"spacegroup": 12
},
{
"id": "jvasp-93072",
"created_at": "2022-09-04T14:36:15.061502Z",
"updated_at": "2022-09-04T14:36:15.061529Z",
"structure_string": "Na1 Mg6 W1\n1.0\n5.987414 -1.609164 0.000000\n-4.387286 7.598992 0.000000\n0.000000 0.000000 4.386116\nNa Mg W\n1 6 1\ndirect\n0.250041 0.375021 0.250000 Na\n0.750006 0.374991 0.250000 Mg\n0.750005 0.875014 0.250000 Mg\n0.249981 0.104087 0.750001 Mg\n0.249997 0.645906 0.750001 Mg\n0.708741 0.104367 0.750001 Mg\n0.791237 0.645624 0.750001 Mg\n0.249983 0.874993 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"density": 3.4734340274286115,
"density_atomic": 0.04745085311813868,
"volume": 168.59549353269477,
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"formula_full": "Na1 Mg6 W1",
"formula_reduced": "NaMg6W",
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"spacegroup": 123
},
{
"id": "jvasp-94056",
"created_at": "2022-09-04T14:35:54.364433Z",
"updated_at": "2022-09-04T14:35:54.364451Z",
"structure_string": "Na1 Mg6 V1\n1.0\n6.337131 0.000355 0.000000\n-3.168259 5.488294 0.000000\n0.000000 0.000000 5.109653\nNa Mg V\n1 6 1\ndirect\n0.416668 0.083331 0.750000 Na\n0.077322 0.913655 0.250000 Mg\n0.586343 0.422677 0.250000 Mg\n0.586353 0.913645 0.250000 Mg\n0.402768 0.576393 0.750000 Mg\n0.923605 0.097230 0.750000 Mg\n0.923584 0.576414 0.750000 Mg\n0.083352 0.416648 0.250000 V\n",
"nsites": 8,
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"density": 2.0533583444715955,
"density_atomic": 0.04501471265037757,
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"formula_full": "Na1 Mg6 V1",
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"spacegroup": 187
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{
"id": "jvasp-80817",
"created_at": "2022-09-04T14:37:15.692993Z",
"updated_at": "2022-09-04T14:37:15.693014Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-11.057629 0.001389 -6.385259\n-3.955147 -0.213656 -5.918251\n-4.903241 -2.895150 -4.276203\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.729823 0.000012 -0.000012 Mg\n0.270177 -0.000012 0.000012 Mg\n0.500000 0.000000 -0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
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"spacegroup": 71
},
{
"id": "jvasp-41309",
"created_at": "2022-09-04T14:37:42.079501Z",
"updated_at": "2022-09-04T14:37:42.079521Z",
"structure_string": "Na1 Mg1 Tl2\n1.0\n-0.000000 3.715703 3.715703\n3.715703 0.000000 3.715703\n3.715703 3.715703 0.000000\nNa Mg Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"volume": 102.60132633366347,
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"formula_full": "Na1 Mg1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-90917",
"created_at": "2022-09-04T14:36:04.487963Z",
"updated_at": "2022-09-04T14:36:04.487993Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-11.041477 0.002755 -6.377049\n-7.094587 0.214207 -0.461470\n-6.146301 2.898984 -2.106088\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.729978 -0.000040 0.000041 Mg\n0.270022 0.000039 -0.000039 Mg\n0.500000 -0.000000 0.000001 Tl\n",
"nsites": 4,
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"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.250000000000087e-05,
"spacegroup": 71
},
{
"id": "jvasp-93086",
"created_at": "2022-09-04T14:35:48.465203Z",
"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
"nsites": 8,
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"density": 1.9156685981370511,
"density_atomic": 0.03598950656950128,
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"formula_full": "Na1 Sr1 Mg6",
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},
{
"id": "jvasp-81204",
"created_at": "2022-09-04T14:37:09.827043Z",
"updated_at": "2022-09-04T14:37:09.827065Z",
"structure_string": "Na1 Sr2 Mg1\n1.0\n-14.240648 3.517406 -2.477941\n-10.376301 0.817879 1.349223\n-8.642982 5.720443 -1.652972\nNa Sr Mg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749932 -0.000015 -0.000014 Sr\n0.250067 0.000015 0.000015 Sr\n0.499999 0.000000 0.000001 Mg\n",
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"formula_full": "Na1 Sr2 Mg1",
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"spacegroup": 225
},
{
"id": "jvasp-39645",
"created_at": "2022-09-04T14:37:41.478733Z",
"updated_at": "2022-09-04T14:37:41.478760Z",
"structure_string": "Na4 Mg2 Sn2\n1.0\n2.527550 -4.377845 -0.000000\n2.527550 4.377845 0.000000\n-0.000000 -0.000000 10.013912\nNa Mg Sn\n4 2 2\ndirect\n0.666667 0.333333 0.079121 Na\n0.666667 0.333333 0.420879 Na\n0.333333 0.666667 0.579121 Na\n0.333333 0.666667 0.920879 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
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"formula_full": "Na4 Mg2 Sn2",
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}
]
}