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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4208",
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"results": [
{
"id": "jvasp-38083",
"created_at": "2022-09-04T14:38:28.945259Z",
"updated_at": "2022-09-04T14:38:28.945282Z",
"structure_string": "Sr2 Tc2 N6\n1.0\n1.321804 3.965853 -0.000000\n0.000000 0.000000 5.702115\n6.644536 -0.011397 0.000000\nSr Tc N\n2 2 6\ndirect\n0.370977 0.250000 0.258045 Sr\n0.629021 0.749999 0.741955 Sr\n0.904275 0.749999 0.191448 Tc\n0.095723 0.250000 0.808552 Tc\n0.850284 0.250000 0.604410 N\n0.545305 0.250000 0.604410 N\n0.000000 0.500000 0.000000 N\n0.149714 0.749999 0.395590 N\n0.454693 0.749999 0.395590 N\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Sr1 Ti1 N2\n1.0\n3.186153 0.000000 0.000000\n0.000000 3.186153 -0.000000\n0.000000 -0.000000 5.682235\nSr Ti N\n1 1 2\ndirect\n0.500000 0.500000 0.539835 Sr\n0.000000 0.000000 0.074563 Ti\n0.000000 0.000000 0.383835 N\n0.500000 0.500000 0.011767 N\n",
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"formula_full": "Sr1 Ti1 N2",
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{
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"created_at": "2022-09-04T14:36:58.171454Z",
"updated_at": "2022-09-04T14:36:58.171492Z",
"structure_string": "Sr2 Ti2 N4\n1.0\n3.896063 0.000000 0.000000\n0.000000 3.896063 0.000000\n0.000000 0.000000 7.716341\nSr Ti N\n2 2 4\ndirect\n0.500000 0.000000 0.162484 Sr\n0.000000 0.500000 0.837516 Sr\n0.000000 0.500000 0.413374 Ti\n0.500000 0.000000 0.586626 Ti\n0.500000 0.000000 0.825051 N\n0.000000 0.500000 0.174948 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n",
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"elements": [
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"density_atomic": 0.06830093257278441,
"volume": 117.12870818381369,
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"formula_full": "Sr2 Ti2 N4",
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"formula_anonymous": "ABC2",
"energy_above_hull": 2.992292785833333,
"spacegroup": 129
},
{
"id": "jvasp-118772",
"created_at": "2022-09-04T14:38:47.495159Z",
"updated_at": "2022-09-04T14:38:47.495173Z",
"structure_string": "Sr1 Ti1 N1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nSr Ti N\n1 1 1\ndirect\n0.000150 0.337481 0.000000 Sr\n-0.075088 -0.004067 0.000000 Ti\n0.274227 0.000518 0.000000 N\n",
"nsites": 3,
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"elements": [
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"chemical_system": "N-Sr-Ti",
"density": 1.1950796367484005,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Sr1 Ti1 N1",
"formula_reduced": "SrTiN",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-118771",
"created_at": "2022-09-04T14:38:44.193881Z",
"updated_at": "2022-09-04T14:38:44.193911Z",
"structure_string": "Sr1 Ti1 N1\n1.0\n3.508697 0.000000 0.000000\n-0.000000 3.508697 -0.000000\n-0.000000 -0.000000 7.241379\nSr Ti N\n1 1 1\ndirect\n0.000000 0.000000 0.306882 Sr\n0.000000 0.000000 0.761808 Ti\n0.000000 0.000000 -0.008904 N\n",
"nsites": 3,
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"elements": [
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"density": 2.784575380637648,
"density_atomic": 0.03365179583786917,
"volume": 89.1482883841827,
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"formula_full": "Sr1 Ti1 N1",
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},
{
"id": "jvasp-118774",
"created_at": "2022-09-04T14:38:53.626752Z",
"updated_at": "2022-09-04T14:38:53.626780Z",
"structure_string": "Sr2 Ti1 N2\n1.0\n-1.877723 1.877723 6.935076\n1.877723 -1.877723 6.935076\n1.877723 1.877723 -6.935076\nSr Ti N\n2 1 2\ndirect\n0.660139 0.660139 0.000000 Sr\n0.339861 0.339861 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.861853 0.861853 0.000000 N\n0.138148 0.138148 0.000000 N\n",
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"formula_full": "Sr2 Ti1 N2",
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"spacegroup": 139
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{
"id": "jvasp-111858",
"created_at": "2022-09-04T14:38:42.388065Z",
"updated_at": "2022-09-04T14:38:42.388092Z",
"structure_string": "Sr10 V4 N12\n1.0\n6.046044 0.008323 -1.039587\n-3.562041 5.503886 -0.000000\n-0.027232 -0.017624 13.677407\nSr V N\n10 4 12\ndirect\n0.137889 0.809617 0.997993 Sr\n0.862112 0.671728 0.502007 Sr\n0.862111 0.190384 0.002007 Sr\n0.137889 0.328273 0.497993 Sr\n0.315672 0.068737 0.718027 Sr\n0.684329 0.753064 0.781973 Sr\n0.684328 0.931264 0.281973 Sr\n0.315672 0.246937 0.218027 Sr\n0.000001 0.381839 0.750000 Sr\n0.000001 0.618162 0.250000 Sr\n0.551085 0.639772 0.073789 V\n0.448915 0.088687 0.426210 V\n0.551086 0.911314 0.573790 V\n0.448915 0.360229 0.926211 V\n0.452840 0.790287 0.433949 N\n0.881293 0.991605 0.628374 N\n0.118708 0.110312 0.871627 N\n0.118707 0.008396 0.371626 N\n0.881293 0.889689 0.128373 N\n0.298992 0.697113 0.641763 N\n0.701009 0.398122 0.858237 N\n0.701008 0.302888 0.358237 N\n0.298992 0.601879 0.141763 N\n0.547161 0.209714 0.566051 N\n0.452840 0.662555 0.933949 N\n0.547161 0.337446 0.066051 N\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.551550783624268,
"density_atomic": 0.057102209270696626,
"volume": 455.32388907660925,
"volume_molar": 10.54624827465372,
"formula_full": "Sr10 V4 N12",
"formula_reduced": "Sr5(VN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.3894622653846147,
"spacegroup": 15
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{
"id": "jvasp-38050",
"created_at": "2022-09-04T14:38:05.711329Z",
"updated_at": "2022-09-04T14:38:05.711349Z",
"structure_string": "Sr2 W2 N6\n1.0\n1.963087 3.094055 1.119580\n-0.012513 -0.021729 -6.474195\n-5.751626 3.097829 1.523872\nSr W N\n2 2 6\ndirect\n0.382547 0.765093 0.665482 Sr\n0.617455 0.234908 0.334518 Sr\n0.151971 0.303942 0.868067 W\n0.848031 0.696059 0.131933 W\n0.154375 0.308751 0.601557 N\n0.002380 0.004761 0.106245 N\n-0.002381 -0.004761 0.893755 N\n0.320382 0.640762 0.023733 N\n0.679620 0.359239 0.976267 N\n0.845626 0.691250 0.398443 N\n",
"nsites": 10,
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"elements": [
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"density": 6.742996454854264,
"density_atomic": 0.06476850334255087,
"volume": 154.3960333174831,
"volume_molar": 9.29794645423533,
"formula_full": "Sr2 W2 N6",
"formula_reduced": "SrWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.694305212,
"spacegroup": 12
},
{
"id": "jvasp-36689",
"created_at": "2022-09-04T14:37:50.381024Z",
"updated_at": "2022-09-04T14:37:50.381034Z",
"structure_string": "Sr2 W2 N6\n1.0\n3.692485 -0.003694 0.015433\n-0.110660 6.355491 0.043410\n-0.765225 -2.301094 6.190348\nSr W N\n2 2 6\ndirect\n0.033591 0.918157 0.357322 Sr\n0.971506 0.385501 0.888513 Sr\n0.519340 0.418680 0.367525 W\n0.444582 0.894857 0.871445 W\n0.035402 0.487997 0.312114 N\n0.618303 0.758557 0.570856 N\n0.484310 0.717968 0.034360 N\n0.918818 0.872916 0.734922 N\n0.531226 0.247410 0.535206 N\n0.491322 0.193081 0.058035 N\n",
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"density": 7.144578213208748,
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"volume": 145.71775607111422,
"volume_molar": 8.775328382915944,
"formula_full": "Sr2 W2 N6",
"formula_reduced": "SrWN3",
"formula_anonymous": "ABC3",
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"spacegroup": 1
},
{
"id": "jvasp-119685",
"created_at": "2022-09-04T14:38:36.794301Z",
"updated_at": "2022-09-04T14:38:36.794334Z",
"structure_string": "Sr6 Y4 N8\n1.0\n7.643741 0.032064 -0.172939\n-7.274635 7.602826 -0.000001\n-0.039065 -0.037379 6.457171\nSr Y N\n6 4 8\ndirect\n0.222161 0.919956 0.077929 Sr\n0.777838 0.697794 0.422071 Sr\n0.777837 0.080044 0.922071 Sr\n0.222161 0.302206 0.577929 Sr\n-0.000001 0.588148 0.750000 Sr\n-0.000000 0.411852 0.250000 Sr\n0.525373 0.369082 0.091526 Y\n0.474626 0.843709 0.408474 Y\n0.525372 0.156290 0.591526 Y\n0.474626 0.630918 0.908473 Y\n0.379317 0.769943 0.063484 N\n0.213750 0.867665 0.498750 N\n0.786249 0.653913 0.001250 N\n0.786249 0.132335 0.501250 N\n0.213750 0.346087 0.998750 N\n0.620681 0.230057 0.936516 N\n0.379317 0.609375 0.563484 N\n0.620682 0.390625 0.436516 N\n",
"nsites": 18,
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"formula_full": "Sr6 Y4 N8",
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},
{
"id": "jvasp-2946",
"created_at": "2022-09-04T14:36:48.158465Z",
"updated_at": "2022-09-04T14:36:48.158479Z",
"structure_string": "Sr2 Zn1 N2\n1.0\n3.706652 0.000000 -1.059127\n-0.302632 3.694278 -1.059127\n-0.007927 -0.008602 6.987959\nSr Zn N\n2 1 2\ndirect\n0.658619 0.658620 0.317238 Sr\n0.341380 0.341381 0.682761 Sr\n0.000000 0.000000 0.000000 Zn\n0.856517 0.856519 0.713033 N\n0.143482 0.143483 0.286966 N\n",
"nsites": 5,
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],
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"density": 4.665529193424199,
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"volume": 95.62139522249761,
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"formula_full": "Sr2 Zn1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-1678",
"created_at": "2022-09-04T14:36:54.199582Z",
"updated_at": "2022-09-04T14:36:54.199597Z",
"structure_string": "Sr1 Zr1 N2\n1.0\n3.260822 0.002366 5.320130\n1.502475 2.894052 5.320130\n0.003890 0.002366 6.239931\nSr Zr N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499998 0.500001 0.500000 Zr\n0.766309 0.766313 0.766312 N\n0.233688 0.233689 0.233689 N\n",
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"formula_full": "Sr1 Zr1 N2",
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}
]
}