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{
"id": "jvasp-90006",
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"structure_string": "Sr2 N1 O6\n1.0\n0.000000 0.000000 -3.627000\n-3.227566 -5.590308 0.000000\n-3.227438 5.590235 0.000000\nSr N O\n2 1 6\ndirect\n0.000000 0.333322 0.666666 Sr\n0.000000 0.666657 0.333334 Sr\n0.000000 -0.000012 -0.000000 N\n0.000000 0.803913 0.000000 O\n0.000000 0.196066 0.196079 O\n0.000000 -0.000013 0.803921 O\n0.500000 0.466355 0.000000 O\n0.500000 0.533627 0.533637 O\n0.500000 0.999990 0.466363 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:19.447257Z",
"updated_at": "2022-09-04T14:38:19.447279Z",
"structure_string": "Sr1 Ta1 N1 O2\n1.0\n4.039921 -0.000000 0.000000\n0.000000 4.055091 0.000000\n0.000000 0.000000 4.083183\nSr Ta N O\n1 1 1 2\ndirect\n-0.000000 0.985184 -0.000000 Sr\n0.500000 0.489495 0.500000 Ta\n0.500000 0.516443 -0.000000 N\n-0.000000 0.505202 0.500000 O\n0.500000 0.003674 0.500000 O\n",
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"spacegroup": 25
},
{
"id": "jvasp-42223",
"created_at": "2022-09-04T14:38:27.805732Z",
"updated_at": "2022-09-04T14:38:27.805760Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.008493 4.094948 0.011412\n-4.008493 4.094948 0.011412\n0.000000 0.022759 8.109832\nSr Ta N O\n4 4 4 8\ndirect\n0.992201 0.007016 0.247721 Sr\n0.492988 0.507800 0.252281 Sr\n0.492201 0.507013 0.747718 Sr\n0.992985 0.007800 0.752278 Sr\n0.987267 0.495954 0.492127 Ta\n0.004048 0.512733 0.007869 Ta\n0.487268 0.995953 0.992131 Ta\n0.504046 0.012734 0.507872 Ta\n0.735483 0.264518 0.500000 N\n0.967012 0.532991 0.249998 N\n0.467010 0.032989 0.750001 N\n0.235482 0.764519 -0.000000 N\n0.274765 0.725236 0.500000 O\n0.541829 0.958174 0.249999 O\n0.041826 0.458171 0.750000 O\n0.269846 0.265435 0.037236 O\n0.769841 0.765433 0.537233 O\n0.234567 0.230160 0.462766 O\n0.734566 0.730155 0.962764 O\n0.774772 0.225228 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:05.905815Z",
"updated_at": "2022-09-04T14:36:05.905841Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n3.997777 4.114729 0.000190\n-3.997777 4.114729 -0.000190\n0.000439 0.000000 8.072289\nSr Ta N O\n4 4 4 8\ndirect\n-0.003479 -0.003479 0.250000 Sr\n0.506257 0.506257 0.250000 Sr\n0.507750 0.507749 0.750000 Sr\n0.995601 0.995601 0.750000 Sr\n-0.001331 0.491746 0.508931 Ta\n0.015203 0.510468 0.997780 Ta\n0.491747 -0.001331 0.991069 Ta\n0.510468 0.015202 0.502220 Ta\n0.748836 0.249471 0.495277 N\n0.459614 0.036523 0.750058 N\n0.036523 0.459614 0.749943 N\n0.249471 0.748836 0.004723 N\n0.247422 0.746789 0.490394 O\n0.540975 0.953812 0.250756 O\n0.248326 0.248200 0.049030 O\n0.748961 0.748855 0.534675 O\n0.248200 0.248326 0.450970 O\n0.748855 0.748961 0.965325 O\n0.953812 0.540975 0.249244 O\n0.746789 0.247422 0.009606 O\n",
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"formula_full": "Sr4 Ta4 N4 O8",
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{
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"created_at": "2022-09-04T14:37:52.818560Z",
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"structure_string": "Sr2 Ta2 N2 O4\n1.0\n4.003464 -0.000000 0.000000\n0.000000 5.795170 0.000000\n-0.000000 -0.000000 5.785614\nSr Ta N O\n2 2 2 4\ndirect\n0.499999 0.762559 0.516524 Sr\n0.499999 0.237441 0.016524 Sr\n-0.000000 0.734821 0.015130 Ta\n-0.000000 0.265179 0.515130 Ta\n-0.000000 0.485067 0.762163 N\n-0.000000 0.514933 0.262163 N\n0.499999 0.771614 0.988870 O\n-0.000000 0.978685 0.717353 O\n-0.000000 0.021314 0.217353 O\n0.499999 0.228386 0.488870 O\n",
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"formula_full": "Sr2 Ta2 N2 O4",
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{
"id": "jvasp-88807",
"created_at": "2022-09-04T14:36:20.722688Z",
"updated_at": "2022-09-04T14:36:20.722711Z",
"structure_string": "Sr2 Ta2 N2 O4\n1.0\n4.974272 -0.164376 -2.997126\n-3.349974 4.742994 0.187714\n-0.115975 0.164262 5.806319\nSr Ta N O\n2 2 2 4\ndirect\n0.499990 0.255515 0.755492 Sr\n0.500022 0.755513 0.255519 Sr\n-0.000007 0.017005 0.017010 Ta\n-0.000002 0.517007 0.517015 Ta\n-0.000015 0.240416 0.240399 N\n0.000014 0.740415 0.740427 N\n0.102463 0.294751 0.794755 O\n0.499994 0.794750 0.692298 O\n0.897532 0.692304 0.192304 O\n0.500000 0.192317 0.294770 O\n",
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{
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"created_at": "2022-09-04T14:37:09.875919Z",
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"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
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{
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"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
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{
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"updated_at": "2022-09-04T14:38:32.558601Z",
"structure_string": "Se2 S4 N4 O4\n1.0\n4.269067 0.000000 -1.178541\n-0.247433 6.930048 -0.896286\n0.012051 -0.101061 8.364910\nSe S N O\n2 4 4 4\ndirect\n0.871209 0.250000 0.000000 Se\n0.128793 0.750000 -0.000000 Se\n0.492369 0.375600 0.682259 S\n0.810110 0.124400 0.317742 S\n0.507632 0.624401 0.317741 S\n0.189891 0.875600 0.682258 S\n0.508267 0.303799 0.849556 N\n0.658710 0.196201 0.150444 N\n0.491735 0.696201 0.150443 N\n0.341291 0.803800 0.849556 N\n0.792531 0.406543 0.642339 O\n0.150192 0.093457 0.357662 O\n0.849809 0.906543 0.642338 O\n0.207470 0.593457 0.357661 O\n",
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"formula_anonymous": "AB2C2D2",
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{
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"updated_at": "2022-09-04T14:38:45.933184Z",
"structure_string": "Sr6 Os6 N10\n1.0\n5.742002 0.017095 -1.542327\n-0.962355 6.609628 -2.517443\n-0.001609 0.013307 9.532106\nSr Os N\n6 6 10\ndirect\n0.820463 0.422961 0.618312 Sr\n0.179536 0.577041 0.381688 Sr\n0.659579 0.866702 0.893095 Sr\n0.340419 0.133299 0.106906 Sr\n0.663797 0.689675 0.211710 Sr\n0.336202 0.310326 0.788291 Sr\n0.903645 0.127767 0.291929 Os\n0.352043 0.088008 0.413551 Os\n0.096354 0.872235 0.708072 Os\n0.119045 0.676128 0.031469 Os\n0.880954 0.323874 0.968532 Os\n0.647956 0.911993 0.586449 Os\n0.129274 0.757628 0.864992 N\n0.898297 0.105949 0.780786 N\n0.101701 0.894053 0.219215 N\n0.826463 0.701452 0.497549 N\n0.173536 0.298550 0.502451 N\n0.728656 0.540679 0.922467 N\n0.271343 0.459323 0.077533 N\n0.361658 0.902670 0.642984 N\n0.638340 0.097331 0.357017 N\n0.870725 0.242374 0.135008 N\n",
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"elements": [
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],
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"density": 8.286957163336531,
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"volume": 362.1198160220847,
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"formula_full": "Sr6 Os6 N10",
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{
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"created_at": "2022-09-04T14:37:00.772376Z",
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"structure_string": "Ta3 N3 O3\n1.0\n6.680689 0.000000 0.000000\n-3.340344 5.785149 0.000000\n0.000000 0.000000 3.923592\nTa N O\n3 3 3\ndirect\n0.333330 0.666659 0.000000 Ta\n0.999998 0.999995 0.000000 Ta\n0.666671 0.333342 0.000000 Ta\n0.000000 0.500002 0.000000 N\n0.500002 0.500002 0.000000 N\n0.500000 -0.000000 0.000000 N\n0.666691 0.333381 0.500000 O\n0.333310 0.666620 0.500000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Ta3 N3 O3",
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"spacegroup": 191
}
]
}