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{
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"structure_string": "Sr4 U2 Zn2 O12\n1.0\n0.000000 5.830512 -0.014398\n5.885297 0.000000 0.000000\n0.000000 -5.809668 -8.216873\nSr U Zn O\n4 2 2 12\ndirect\n0.259921 0.038040 0.251649 Sr\n0.740079 0.538040 0.248351 Sr\n0.740079 0.961961 0.748351 Sr\n0.259920 0.461961 0.751649 Sr\n0.000000 0.500000 0.000000 U\n-0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.831355 0.978846 0.252300 O\n0.674021 0.792958 0.460402 O\n0.750812 0.284835 0.457168 O\n0.168644 0.021154 0.747700 O\n0.168644 0.478846 0.247700 O\n0.249188 0.784835 0.042832 O\n0.750811 0.215165 0.957168 O\n0.325979 0.292957 0.039598 O\n0.249188 0.715166 0.542832 O\n0.831355 0.521154 0.752299 O\n0.674021 0.707043 0.960402 O\n0.325978 0.207043 0.539598 O\n",
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{
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"structure_string": "Sr4 U2 Ni2 O12\n1.0\n0.000000 5.793550 0.004213\n5.792041 0.000000 0.000000\n0.000000 -5.742457 -8.169357\nSr U Ni O\n4 2 2 12\ndirect\n0.741347 0.469652 0.247938 Sr\n0.741347 0.030348 0.747938 Sr\n0.258653 0.530347 0.752063 Sr\n0.258653 0.969652 0.252062 Sr\n0.000000 0.500000 0.000000 U\n-0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.680031 0.217096 0.464589 O\n0.254470 0.283874 0.537366 O\n0.818839 0.013865 0.248841 O\n0.181162 0.513865 0.251160 O\n0.319969 0.717096 0.035412 O\n0.319969 0.782904 0.535412 O\n0.745530 0.783874 0.962634 O\n0.745530 0.716126 0.462634 O\n0.254470 0.216126 0.037366 O\n0.818838 0.486135 0.748841 O\n0.680031 0.282904 0.964589 O\n0.181162 0.986134 0.751160 O\n",
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{
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"created_at": "2022-09-04T14:38:11.107346Z",
"updated_at": "2022-09-04T14:38:11.107376Z",
"structure_string": "Sr4 U2 Mn2 O12\n1.0\n5.903257 0.000000 0.000000\n0.000000 5.850793 -0.004684\n0.000000 0.011784 8.169107\nSr U Mn O\n4 2 2 12\ndirect\n0.536613 0.506136 0.249230 Sr\n0.963388 0.006136 0.749230 Sr\n0.463388 0.493863 0.750770 Sr\n0.036612 0.993863 0.250771 Sr\n0.000000 0.499999 0.500000 U\n0.500000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.979644 0.423045 0.245418 O\n0.708517 0.287452 0.960544 O\n0.791483 0.787452 0.460544 O\n0.213347 0.209072 0.958818 O\n0.713347 0.290927 0.541183 O\n0.291483 0.712547 0.039457 O\n0.520357 0.923045 0.745419 O\n0.020357 0.576954 0.754583 O\n0.786654 0.790927 0.041183 O\n0.208517 0.212547 0.539457 O\n0.286653 0.709072 0.458818 O\n0.479644 0.076954 0.254582 O\n",
"nsites": 20,
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{
"id": "jvasp-111913",
"created_at": "2022-09-04T14:38:49.953864Z",
"updated_at": "2022-09-04T14:38:49.953889Z",
"structure_string": "Sr4 U2 Fe2 O12\n1.0\n5.687881 0.000000 0.000000\n0.000000 4.667668 3.341166\n0.000000 -0.048845 9.868225\nSr U Fe O\n4 2 2 12\ndirect\n0.487885 0.255441 0.247907 Sr\n0.012115 0.255441 0.747908 Sr\n0.512115 0.744558 0.752094 Sr\n0.987885 0.744559 0.252093 Sr\n0.500000 0.000000 0.000000 U\n0.000000 -0.000000 0.500000 U\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.723768 0.270602 0.472724 O\n0.242447 0.303607 0.473151 O\n0.996207 0.792411 0.759870 O\n0.496207 0.207588 0.740132 O\n0.276232 0.729398 0.527277 O\n0.223768 0.729398 0.027277 O\n0.257553 0.303606 0.973152 O\n0.776232 0.270601 0.972724 O\n0.003793 0.207588 0.240131 O\n0.757553 0.696393 0.526850 O\n0.742447 0.696393 0.026849 O\n0.503793 0.792412 0.259869 O\n",
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"density": 7.138168685761016,
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{
"id": "jvasp-13148",
"created_at": "2022-09-04T14:36:49.893863Z",
"updated_at": "2022-09-04T14:36:49.893873Z",
"structure_string": "Sr4 Ti3 O10\n1.0\n3.891049 -0.000000 -0.534911\n-0.073535 3.890354 -0.534911\n0.000383 0.000391 14.422360\nSr Ti O\n4 3 10\ndirect\n0.702421 0.702421 0.404843 Sr\n0.431467 0.431467 0.862936 Sr\n0.568531 0.568532 0.137064 Sr\n0.297577 0.297578 0.595157 Sr\n0.140203 0.140203 0.280406 Ti\n0.859795 0.859796 0.719594 Ti\n0.000000 0.000000 0.000000 Ti\n0.861073 0.361073 0.722146 O\n0.138925 0.638926 0.277854 O\n0.930476 0.930477 0.860956 O\n0.069522 0.069522 0.139044 O\n-0.000001 0.499999 -0.000000 O\n0.500000 0.000000 0.000000 O\n0.209648 0.209648 0.419296 O\n0.790350 0.790351 0.580704 O\n0.638926 0.138926 0.277854 O\n0.361072 0.861073 0.722146 O\n",
"nsites": 17,
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"elements": [
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"volume": 218.32093780710326,
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{
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"created_at": "2022-09-04T14:36:16.764006Z",
"updated_at": "2022-09-04T14:36:16.764029Z",
"structure_string": "Sr4 Ti1 Be1\n1.0\n-0.000000 4.855937 4.855937\n4.855937 0.000000 4.855937\n4.855937 4.855937 0.000000\nSr Ti Be\n4 1 1\ndirect\n0.125607 0.624798 0.624798 Sr\n0.624798 0.624798 0.624798 Sr\n0.624798 0.125607 0.624798 Sr\n0.624798 0.624798 0.125607 Sr\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n",
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},
{
"id": "jvasp-19107",
"created_at": "2022-09-04T14:37:06.247748Z",
"updated_at": "2022-09-04T14:37:06.247768Z",
"structure_string": "Sr4 Te4 O16\n1.0\n5.087236 -0.000000 0.000000\n-0.000000 5.602618 0.000000\n0.000000 0.000000 13.244901\nSr Te O\n4 4 16\ndirect\n0.750001 0.000000 0.665675 Sr\n0.250000 0.500000 0.834325 Sr\n0.250000 0.000000 0.334325 Sr\n0.750001 0.500000 0.165675 Sr\n0.750001 0.500000 0.429149 Te\n0.250000 0.000000 0.070851 Te\n0.250000 0.500000 0.570851 Te\n0.750001 0.000000 0.929149 Te\n0.927878 0.809037 0.042165 O\n0.427878 0.690964 0.457835 O\n0.927878 0.690964 0.542165 O\n0.427878 0.809037 0.957835 O\n0.072123 0.190964 0.957835 O\n0.572123 0.309036 0.542165 O\n0.631776 0.283022 0.331590 O\n0.368225 0.716978 0.668410 O\n0.368225 0.783023 0.168410 O\n0.868225 0.716978 0.331590 O\n0.572123 0.190964 0.042165 O\n0.868225 0.783023 0.831590 O\n0.631776 0.216978 0.831590 O\n0.131776 0.283022 0.668410 O\n0.131776 0.216978 0.168410 O\n0.072123 0.309036 0.457835 O\n",
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{
"id": "jvasp-39642",
"created_at": "2022-09-04T14:37:56.457658Z",
"updated_at": "2022-09-04T14:37:56.457677Z",
"structure_string": "Sr4 Te4 O12\n1.0\n0.000000 6.793373 -0.024664\n7.254667 0.000000 0.000000\n0.000000 -5.132111 -6.992336\nSr Te O\n4 4 12\ndirect\n0.863138 0.626878 0.131360 Sr\n0.136861 0.126878 0.368640 Sr\n0.136861 0.373122 0.868640 Sr\n0.863139 0.873122 0.631360 Sr\n0.375957 0.829846 0.101603 Te\n0.624043 0.329846 0.398396 Te\n0.624043 0.170154 0.898397 Te\n0.375957 0.670154 0.601604 Te\n0.772160 0.531280 0.568045 O\n0.227840 0.031280 0.931955 O\n0.401040 0.585743 0.819621 O\n0.598960 0.085743 0.680379 O\n0.598960 0.414257 0.180379 O\n0.916183 0.312125 0.023445 O\n0.083817 0.687876 0.976555 O\n0.916183 0.187875 0.523446 O\n0.772159 0.968720 0.068045 O\n0.083817 0.812125 0.476554 O\n0.401040 0.914258 0.319621 O\n0.227840 0.468720 0.431955 O\n",
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{
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"created_at": "2022-09-04T14:38:53.873434Z",
"updated_at": "2022-09-04T14:38:53.873457Z",
"structure_string": "Sr4 Tc4 O12\n1.0\n5.571605 0.000000 0.000000\n0.000000 5.609497 0.000000\n-0.000000 -0.000000 7.891620\nSr Tc O\n4 4 12\ndirect\n0.495726 0.001457 0.750000 Sr\n0.995725 0.498544 0.750000 Sr\n0.504274 0.998544 0.250000 Sr\n0.004274 0.501457 0.250000 Sr\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 -0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.756998 0.743046 0.021649 O\n0.256998 0.756955 0.478351 O\n0.756998 0.743046 0.478351 O\n0.256998 0.756955 0.021649 O\n0.243001 0.256955 0.978351 O\n0.500452 0.542997 0.750000 O\n0.499547 0.457003 0.250000 O\n0.999547 0.042997 0.250000 O\n0.743001 0.243046 0.978351 O\n0.000452 0.957004 0.750000 O\n0.743001 0.243046 0.521649 O\n0.243001 0.256955 0.521649 O\n",
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{
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"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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"spacegroup": 15
},
{
"id": "jvasp-99323",
"created_at": "2022-09-04T14:36:40.665574Z",
"updated_at": "2022-09-04T14:36:40.665599Z",
"structure_string": "Sr4 Tb4 O12\n1.0\n6.031965 -0.000000 0.000000\n-0.000000 6.212314 0.000000\n0.000000 0.000000 8.529501\nTb Sr O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.017596 0.948533 0.750000 Sr\n0.517596 0.551466 0.250000 Sr\n0.482405 0.448534 0.750000 Sr\n0.982405 0.051466 0.250000 Sr\n0.883177 0.551882 0.750000 O\n0.383177 0.948117 0.250000 O\n0.204514 0.207315 0.562635 O\n0.204514 0.207315 0.937365 O\n0.704514 0.292685 0.062635 O\n0.295486 0.707315 0.562635 O\n0.795487 0.792684 0.437365 O\n0.795487 0.792684 0.062635 O\n0.295486 0.707315 0.937365 O\n0.704514 0.292685 0.437365 O\n0.116824 0.448118 0.250000 O\n0.616824 0.051882 0.750000 O\n",
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},
{
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"created_at": "2022-09-04T14:38:07.270273Z",
"updated_at": "2022-09-04T14:38:07.270296Z",
"structure_string": "Sr4 Ta8 O24\n1.0\n5.649791 -0.000000 0.000000\n-0.000000 7.682876 0.000000\n0.000000 0.000000 11.119371\nSr Ta O\n4 8 24\ndirect\n0.961594 0.750000 0.460697 Sr\n0.461594 0.250000 0.039303 Sr\n0.038406 0.250000 0.539303 Sr\n0.538406 0.750000 0.960697 Sr\n0.463514 0.004329 0.357385 Ta\n0.036485 0.495672 0.857385 Ta\n0.536485 0.504329 0.642615 Ta\n0.963514 0.995672 0.142615 Ta\n0.536485 0.995672 0.642615 Ta\n0.963514 0.504329 0.142615 Ta\n0.463514 0.495672 0.357385 Ta\n0.036485 0.004329 0.857385 Ta\n0.638991 0.449333 0.212839 O\n0.281306 0.535145 0.524524 O\n0.781306 0.464855 0.975476 O\n0.138991 0.949334 0.287161 O\n0.638991 0.050667 0.212839 O\n0.861009 0.449333 0.712839 O\n0.361009 0.550667 0.787161 O\n0.861009 0.050667 0.712839 O\n0.361009 0.949334 0.787161 O\n0.138991 0.550667 0.287161 O\n0.218694 0.535145 0.024524 O\n0.467111 0.250000 0.646661 O\n0.781306 0.035145 0.975476 O\n0.281306 0.964855 0.524524 O\n0.532888 0.750000 0.353339 O\n0.032889 0.250000 0.146661 O\n0.218694 0.964855 0.024524 O\n0.967111 0.750000 0.853339 O\n0.357801 0.250000 0.370565 O\n0.857801 0.750000 0.129435 O\n0.642199 0.750000 0.629435 O\n0.142199 0.250000 0.870565 O\n0.718694 0.464855 0.475476 O\n0.718694 0.035145 0.475476 O\n",
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}
]
}