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{
"id": "jvasp-38050",
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"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",
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{
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"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",
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{
"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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"chemical_system": "N-Sr-Ti",
"density": 2.784575380637648,
"density_atomic": 0.03365179583786917,
"volume": 89.1482883841827,
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"formula_full": "Sr1 Ti1 N1",
"formula_reduced": "SrTiN",
"formula_anonymous": "ABC",
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"spacegroup": 99
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{
"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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"density": 1.1950796367484005,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
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"formula_full": "Sr1 Ti1 N1",
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{
"id": "jvasp-118773",
"created_at": "2022-09-04T14:38:28.892086Z",
"updated_at": "2022-09-04T14:38:28.892101Z",
"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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"volume": 57.683611696892704,
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"formula_full": "Sr1 Ti1 N2",
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{
"id": "jvasp-2979",
"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",
"nsites": 8,
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"formula_full": "Sr2 Ti2 N4",
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"spacegroup": 129
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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",
"nsites": 5,
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"density": 4.263407295012725,
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"volume": 97.80797511605654,
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"formula_full": "Sr2 Ti1 N2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-36691",
"created_at": "2022-09-04T14:37:47.905466Z",
"updated_at": "2022-09-04T14:37:47.905491Z",
"structure_string": "Sr4 Tc4 N12\n1.0\n-3.158071 5.084770 -1.184450\n0.043059 -0.023306 -7.522094\n-5.544509 -5.074311 0.306730\nSr Tc N\n4 4 12\ndirect\n0.750000 0.328360 0.328360 Sr\n0.250000 0.092045 0.092045 Sr\n0.250000 0.671640 0.671640 Sr\n0.750000 0.907954 0.907955 Sr\n0.741982 0.799622 0.376518 Tc\n0.758018 0.376518 0.799623 Tc\n0.241982 0.623481 0.200377 Tc\n0.258018 0.200377 0.623482 Tc\n0.835664 0.869528 0.593103 N\n0.490829 0.679799 0.371998 N\n-0.009171 0.628002 0.320200 N\n0.166539 0.766038 0.012357 N\n0.509170 0.320200 0.628002 N\n0.666539 0.987642 0.233961 N\n0.664335 0.593103 0.869529 N\n0.333461 0.012357 0.766039 N\n0.335664 0.406897 0.130472 N\n0.009171 0.371998 0.679800 N\n0.833461 0.233961 0.987643 N\n0.164336 0.130471 0.406897 N\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.5409296023627865,
"density_atomic": 0.060064367517255884,
"volume": 332.9761192316593,
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"formula_full": "Sr4 Tc4 N12",
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{
"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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"formula_full": "Sr2 Tc2 N6",
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},
{
"id": "jvasp-97336",
"created_at": "2022-09-04T14:35:43.240860Z",
"updated_at": "2022-09-04T14:35:43.240878Z",
"structure_string": "Sr8 Ta4 N12\n1.0\n6.011381 0.000000 0.244868\n3.005690 5.643799 0.122434\n0.017957 0.000000 12.599829\nSr Ta N\n8 4 12\ndirect\n0.846562 0.767824 0.076776 Sr\n0.056321 0.403863 0.358643 Sr\n0.943679 0.596137 0.641357 Sr\n0.460184 0.596137 0.858643 Sr\n0.614387 0.232176 0.576776 Sr\n0.153438 0.232176 0.923224 Sr\n0.385613 0.767824 0.423224 Sr\n0.539816 0.403863 0.141357 Sr\n0.768150 0.997306 0.836441 Ta\n0.231850 0.002694 0.163558 Ta\n0.765455 0.002694 0.336442 Ta\n0.234545 0.997306 0.663558 Ta\n0.500456 0.999088 0.750000 N\n0.804181 0.812889 0.460303 N\n0.617070 0.187111 0.960304 N\n0.004986 0.326825 0.125538 N\n0.668189 0.326825 0.374462 N\n0.995014 0.673175 0.874462 N\n0.331811 0.673175 0.625538 N\n0.087008 0.825984 0.250000 N\n0.912992 0.174016 0.750000 N\n0.499544 0.000912 0.250000 N\n0.382930 0.812889 0.039696 N\n0.195819 0.187111 0.539697 N\n",
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{
"id": "jvasp-120344",
"created_at": "2022-09-04T14:38:48.162602Z",
"updated_at": "2022-09-04T14:38:48.162628Z",
"structure_string": "Sr1 Ta1 N1\n1.0\n3.264341 -0.000000 -0.000000\n-0.000000 3.264341 0.000000\n-0.000000 0.000000 7.331691\nSr Ta N\n1 1 1\ndirect\n0.000000 0.000000 0.305669 Sr\n0.000000 0.000000 0.755083 Ta\n0.000000 0.000000 -0.006709 N\n",
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{
"id": "jvasp-120346",
"created_at": "2022-09-04T14:38:48.190739Z",
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"structure_string": "Sr1 Ta1 N2\n1.0\n1.620174 0.935408 5.874905\n-1.620174 0.935408 5.874905\n-0.000000 -1.870816 5.874905\nSr Ta N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ta\n0.768190 0.768190 0.768190 N\n0.231810 0.231810 0.231810 N\n",
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}