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{
"id": "jvasp-37603",
"created_at": "2022-09-04T14:38:32.850577Z",
"updated_at": "2022-09-04T14:38:32.850602Z",
"structure_string": "Sr3 Cd1 O4\n1.0\n5.081601 0.000000 0.000000\n0.000000 5.081601 0.000000\n-0.000000 -0.000000 5.081601\nSr Cd O\n3 1 4\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Sr6 Cd2 Pt2 O12\n1.0\n6.831430 0.035789 -0.047679\n-0.048262 6.831354 -0.047679\n0.035351 0.035789 6.831505\nSr Cd Pt O\n6 2 2 12\ndirect\n0.750000 0.386512 0.113488 Sr\n0.113488 0.750000 0.386512 Sr\n0.386512 0.113488 0.750000 Sr\n0.886512 0.250000 0.613488 Sr\n0.250000 0.613488 0.886513 Sr\n0.613488 0.886512 0.250000 Sr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.948161 0.082960 0.285402 O\n0.582960 0.448161 0.785402 O\n0.214599 0.417040 0.551839 O\n0.551839 0.214599 0.417040 O\n0.417040 0.551839 0.214599 O\n0.917040 0.714598 0.051839 O\n0.051839 0.917040 0.714599 O\n0.714598 0.051839 0.917040 O\n0.785402 0.582960 0.448161 O\n0.448161 0.785401 0.582960 O\n0.285402 0.948160 0.082960 O\n0.082960 0.285401 0.948161 O\n",
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{
"id": "jvasp-57112",
"created_at": "2022-09-04T14:38:32.660546Z",
"updated_at": "2022-09-04T14:38:32.660575Z",
"structure_string": "Sr3 Ce1 P1 C3 O13\n1.0\n6.504654 -0.012058 -1.144058\n-1.360796 6.360731 -1.144058\n-0.009771 -0.012058 6.604491\nSr Ce P C O\n3 1 1 3 13\ndirect\n0.526118 0.526119 0.077348 Sr\n0.526119 0.077348 0.526119 Sr\n0.077348 0.526119 0.526119 Sr\n0.001246 0.001246 0.001246 Ce\n0.577313 0.577313 0.577313 P\n0.067713 0.566952 0.067714 C\n0.067714 0.067714 0.566952 C\n0.566951 0.067714 0.067714 C\n0.161367 0.940504 0.659014 O\n0.659014 0.161368 0.940504 O\n0.111421 0.394514 0.111422 O\n0.435470 0.435470 0.684171 O\n0.940503 0.659015 0.161367 O\n0.111422 0.111422 0.394514 O\n0.743496 0.743496 0.743496 O\n0.435470 0.684171 0.435470 O\n0.684170 0.435470 0.435470 O\n0.940503 0.161368 0.659014 O\n0.161368 0.659015 0.940504 O\n0.659014 0.940504 0.161367 O\n0.394514 0.111422 0.111422 O\n",
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"elements": [
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"density": 4.1242951885671575,
"density_atomic": 0.07693197111845142,
"volume": 272.9684381499403,
"volume_molar": 7.82787789322045,
"formula_full": "Sr3 Ce1 P1 C3 O13",
"formula_reduced": "Sr3CePC3O13",
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{
"id": "jvasp-12608",
"created_at": "2022-09-04T14:37:06.353791Z",
"updated_at": "2022-09-04T14:37:06.353810Z",
"structure_string": "Sr3 Co2 Cl2 O5\n1.0\n3.814800 -0.000000 -0.613805\n-0.098761 3.813521 -0.613805\n0.031826 0.032661 12.359198\nSr Co Cl O\n3 2 2 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.154866 0.154867 0.309734 Sr\n0.845134 0.845132 0.690267 Sr\n0.423332 0.423332 0.846664 Co\n0.576668 0.576669 0.153338 Co\n0.295204 0.295202 0.590405 Cl\n0.704799 0.704796 0.409596 Cl\n0.500000 0.500001 0.000000 O\n0.413431 0.913430 0.826860 O\n0.913431 0.413429 0.826860 O\n0.086570 0.586569 0.173141 O\n0.586570 0.086571 0.173141 O\n",
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"elements": [
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"density": 4.9056954038516665,
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"formula_full": "Sr3 Co2 Cl2 O5",
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{
"id": "jvasp-58076",
"created_at": "2022-09-04T14:37:32.304945Z",
"updated_at": "2022-09-04T14:37:32.304959Z",
"structure_string": "Sr3 Co2 Cu2 S2 O5\n1.0\n3.846203 -0.000000 -0.000000\n-0.000000 3.846203 -0.000000\n-1.923101 -1.923101 13.397702\nSr Co Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.638621 0.638621 0.277243 Sr\n0.361378 0.361378 0.722757 Sr\n0.069528 0.069528 0.139055 Co\n0.930472 0.930472 0.860945 Co\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.195635 0.195635 0.391270 S\n0.804364 0.804364 0.608729 S\n0.078524 0.578524 0.157048 O\n0.578524 0.078524 0.157048 O\n0.921475 0.421476 0.842951 O\n0.421476 0.921475 0.842951 O\n0.000000 0.000000 0.000000 O\n",
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"volume": 198.19592377886607,
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"formula_full": "Sr3 Co2 Cu2 S2 O5",
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{
"id": "jvasp-41954",
"created_at": "2022-09-04T14:37:44.421238Z",
"updated_at": "2022-09-04T14:37:44.421259Z",
"structure_string": "Sr6 Co2 C6 N6\n1.0\n4.352990 -7.539598 -0.000000\n4.352990 7.539599 -0.000000\n0.000000 0.000000 5.396037\nSr Co C N\n6 2 6 6\ndirect\n0.370559 0.306741 0.750000 Sr\n0.693259 0.063818 0.750000 Sr\n0.306741 0.936182 0.250000 Sr\n0.629441 0.693259 0.250000 Sr\n0.936182 0.629441 0.750000 Sr\n0.063818 0.370559 0.250000 Sr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.695162 0.146957 0.250000 C\n0.304839 0.853043 0.750000 C\n0.853043 0.548205 0.250000 C\n0.548205 0.695161 0.750000 C\n0.146957 0.451795 0.750000 C\n0.451795 0.304839 0.250000 C\n0.977965 0.703594 0.250000 N\n0.022035 0.296406 0.750000 N\n0.703594 0.725629 0.750000 N\n0.296406 0.274371 0.250000 N\n0.725629 0.022035 0.250000 N\n0.274371 0.977965 0.750000 N\n",
"nsites": 20,
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"elements": [
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"density": 3.7491290386292153,
"density_atomic": 0.05646628193837523,
"volume": 354.19367653473455,
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"formula_full": "Sr6 Co2 C6 N6",
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"formula_anonymous": "AB3C3D3",
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{
"id": "jvasp-117250",
"created_at": "2022-09-04T14:38:49.910304Z",
"updated_at": "2022-09-04T14:38:49.910320Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n6.785507 -0.000378 -0.252883\n-0.205939 6.648975 -0.338540\n-0.024311 0.004792 6.616460\nSr Co Ru O\n6 2 2 12\ndirect\n0.610148 0.882649 0.250998 Sr\n0.888137 0.247631 0.613347 Sr\n0.246787 0.616800 0.881661 Sr\n0.111857 0.752364 0.386652 Sr\n0.753212 0.383200 0.118338 Sr\n0.389853 0.117348 0.749004 Sr\n0.733172 0.734415 0.759765 Co\n0.266835 0.265583 0.240235 Co\n0.499995 0.500002 0.500002 Ru\n0.000001 0.000000 -0.000000 Ru\n0.939712 0.078474 0.282107 O\n0.592167 0.463643 0.792596 O\n0.785951 0.599250 0.472303 O\n0.453261 0.785245 0.590511 O\n0.715957 0.028074 0.898759 O\n0.546740 0.214761 0.409486 O\n0.060290 0.921521 0.717893 O\n0.407828 0.536366 0.207408 O\n0.214048 0.400746 0.527698 O\n0.094018 0.288334 0.969952 O\n0.905989 0.711664 0.030057 O\n0.284046 0.971928 0.101232 O\n",
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"formula_full": "Sr6 Co2 Ru2 O12",
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{
"id": "jvasp-37600",
"created_at": "2022-09-04T14:38:08.165393Z",
"updated_at": "2022-09-04T14:38:08.165408Z",
"structure_string": "Sr3 Cr1\n1.0\n5.447948 -0.000000 0.000000\n0.000000 5.447948 -0.000000\n-0.000000 0.000000 5.447948\nSr Cr\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Cr\n",
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},
{
"id": "jvasp-59562",
"created_at": "2022-09-04T14:37:50.611986Z",
"updated_at": "2022-09-04T14:37:50.612015Z",
"structure_string": "Sr3 Cr2 O8\n1.0\n5.180343 0.002487 5.419507\n2.175177 4.701549 5.419507\n0.003888 0.002487 7.497133\nSr Cr O\n3 2 8\ndirect\n0.796811 0.796811 0.796810 Sr\n0.203189 0.203191 0.203188 Sr\n0.000000 0.000000 0.000000 Sr\n0.593935 0.593934 0.593935 Cr\n0.406064 0.406066 0.406064 Cr\n0.268711 0.268712 0.768526 O\n0.268710 0.768529 0.268710 O\n0.768525 0.268712 0.268711 O\n0.231473 0.731290 0.731289 O\n0.731289 0.731290 0.231474 O\n0.322577 0.322575 0.322577 O\n0.731288 0.231475 0.731289 O\n0.677423 0.677426 0.677425 O\n",
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"volume": 182.41737008644088,
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"formula_full": "Sr3 Cr2 O8",
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"formula_anonymous": "A2B3C8",
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{
"id": "jvasp-58079",
"created_at": "2022-09-04T14:37:32.380872Z",
"updated_at": "2022-09-04T14:37:32.380901Z",
"structure_string": "Sr3 Cr2 S2 O5\n1.0\n3.957338 0.000000 0.000000\n0.000000 3.957338 -0.000000\n-1.978669 -1.978669 11.164670\nSr Cr S O\n3 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.665931 0.665931 0.331861 Sr\n0.334069 0.334069 0.668139 Sr\n0.085021 0.085021 0.170042 Cr\n0.914979 0.914979 0.829958 Cr\n0.193468 0.193468 0.386937 S\n0.806532 0.806532 0.613063 S\n0.084775 0.584775 0.169550 O\n0.584775 0.084775 0.169550 O\n0.915225 0.415225 0.830450 O\n0.415225 0.915225 0.830450 O\n0.000000 0.000000 0.000000 O\n",
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"density_atomic": 0.06863238079139171,
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"formula_full": "Sr3 Cr2 S2 O5",
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},
{
"id": "jvasp-21839",
"created_at": "2022-09-04T14:37:33.187520Z",
"updated_at": "2022-09-04T14:37:33.187545Z",
"structure_string": "Sr6 Cr2 N6\n1.0\n3.870265 -6.703497 0.000000\n3.870265 6.703497 -0.000000\n-0.000000 -0.000000 5.243598\nSr Cr N\n6 2 6\ndirect\n0.913427 0.270758 0.250000 Sr\n0.270758 0.357332 0.750000 Sr\n0.642669 0.913427 0.750000 Sr\n0.357332 0.086574 0.250000 Sr\n0.729243 0.642669 0.250000 Sr\n0.086574 0.729243 0.750000 Sr\n0.333334 0.666668 0.250000 Cr\n0.666668 0.333334 0.750000 Cr\n0.880682 0.314653 0.750000 N\n0.314653 0.433972 0.250000 N\n0.566030 0.880682 0.250000 N\n0.433971 0.119319 0.750000 N\n0.685349 0.566030 0.750000 N\n0.119319 0.685348 0.250000 N\n",
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"elements": [
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],
"chemical_system": "Cr-N-Sr",
"density": 4.3560732328949205,
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"volume": 272.0830621325094,
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"formula_full": "Sr6 Cr2 N6",
"formula_reduced": "Sr3CrN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.8780608685714286,
"spacegroup": 176
},
{
"id": "jvasp-107983",
"created_at": "2022-09-04T14:36:01.959848Z",
"updated_at": "2022-09-04T14:36:01.959871Z",
"structure_string": "Sr3 Cu1\n1.0\n5.305771 -0.000000 0.000000\n0.000000 5.305771 0.000000\n-0.000000 -0.000000 5.305771\nSr Cu\n3 1\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n",
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}
]
}