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{
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"structure_string": "Ba1 Pr1 Eu1 Nb1 O6\n1.0\n-0.000000 -4.348916 -4.348916\n4.348916 0.000000 -4.348916\n4.348916 -4.348916 -0.000000\nBa Pr Eu Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Nb\n0.768115 0.231885 0.231885 O\n0.231885 0.768115 0.768115 O\n0.768115 0.231885 0.768115 O\n0.231885 0.768115 0.231885 O\n0.768115 0.768115 0.231885 O\n0.231885 0.231885 0.768115 O\n",
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{
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"formula_full": "V4 P8 H16 N4 O28",
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{
"id": "mp-1214120",
"created_at": "2022-09-04T14:40:09.198253Z",
"structure_string": "Ca12 Si4 O26\n1.0\n5.090269 -8.816605 0.000000\n5.090269 8.816605 0.000000\n0.000000 0.000000 7.580399\nCa Si O\n12 4 26\ndirect\n0.666067 0.620940 0.621681 Ca\n0.954873 0.333933 0.621681 Ca\n0.379060 0.045127 0.621681 Ca\n0.333933 0.379060 0.378319 Ca\n0.045127 0.666067 0.378319 Ca\n0.620940 0.954873 0.378319 Ca\n0.334682 0.382062 0.870087 Ca\n0.047381 0.665318 0.870087 Ca\n0.617938 0.952619 0.870087 Ca\n0.382062 0.047381 0.129913 Ca\n0.665318 0.617938 0.129913 Ca\n0.952619 0.334682 0.129913 Ca\n0.333333 0.666667 0.655560 Si\n0.666667 0.333333 0.344440 Si\n0.333333 0.666667 0.094464 Si\n0.666667 0.333333 0.905536 Si\n0.412158 0.565347 0.147276 O\n0.153189 0.587842 0.147276 O\n0.434653 0.846811 0.147276 O\n0.586483 0.433058 0.396618 O\n0.846575 0.413517 0.396618 O\n0.566942 0.153425 0.396618 O\n0.413517 0.566942 0.603382 O\n0.153425 0.586483 0.603382 O\n0.433058 0.846575 0.603382 O\n0.235717 0.917419 0.880742 O\n0.681702 0.764283 0.880742 O\n0.082581 0.318298 0.880742 O\n0.228613 0.928016 0.369255 O\n0.699403 0.771387 0.369255 O\n0.071984 0.300597 0.369255 O\n0.318298 0.235717 0.119258 O\n0.917419 0.681702 0.119258 O\n0.764283 0.082581 0.119258 O\n0.333333 0.666667 0.874826 O\n0.666667 0.333333 0.125174 O\n0.300597 0.228613 0.630745 O\n0.928016 0.699403 0.630745 O\n0.771387 0.071984 0.630745 O\n0.587842 0.434653 0.852724 O\n0.846811 0.412158 0.852724 O\n0.565347 0.153189 0.852724 O\n",
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"formula_full": "Ca12 Si4 O26",
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{
"id": "mp-1100526",
"created_at": "2022-09-04T14:40:10.715473Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.476061 0.000000 0.000000\n-1.986163 -6.223834 0.000000\n-3.127036 0.618320 -7.395750\nLi Mn O\n9 7 16\ndirect\n0.624677 0.188431 0.438322 Li\n0.642035 0.684884 0.943313 Li\n0.887308 0.073582 0.832866 Li\n0.880396 0.567144 0.313447 Li\n0.112692 0.926418 0.167134 Li\n0.119604 0.432856 0.686553 Li\n0.375323 0.811569 0.561678 Li\n0.357965 0.315116 0.056687 Li\n0.000000 0.500000 0.000000 Li\n0.753373 0.124974 0.122609 Mn\n0.246627 0.875026 0.877391 Mn\n0.754264 0.624351 0.631336 Mn\n0.000000 0.000000 0.500000 Mn\n0.245736 0.375649 0.368664 Mn\n0.494570 0.747240 0.243185 Mn\n0.505430 0.252760 0.756815 Mn\n0.460624 0.023983 0.170816 O\n0.460523 0.524830 0.669491 O\n0.681539 0.880957 0.504226 O\n0.667992 0.372852 0.004834 O\n0.950882 0.789079 0.898998 O\n0.956483 0.277369 0.415470 O\n0.209248 0.655954 0.289936 O\n0.205785 0.156145 0.787031 O\n0.790752 0.344046 0.710064 O\n0.794215 0.843855 0.212969 O\n0.049118 0.210921 0.101002 O\n0.043517 0.722631 0.584530 O\n0.318461 0.119043 0.495774 O\n0.332008 0.627148 0.995166 O\n0.539376 0.976017 0.829184 O\n0.539477 0.475170 0.330509 O\n",
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"formula_full": "Li9 Mn7 O16",
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},
{
"id": "mp-553971",
"created_at": "2022-09-04T14:39:58.031584Z",
"structure_string": "Rb12 Mn4 O12\n1.0\n7.046029 0.023377 -0.003387\n-1.127198 7.093100 -0.003944\n-0.005771 -0.007620 12.046008\nRb Mn O\n12 4 12\ndirect\n0.007059 0.077727 0.272115 Rb\n0.993077 0.922351 0.727962 Rb\n0.007103 0.577730 0.227834 Rb\n0.993021 0.422374 0.772093 Rb\n0.531216 0.505582 0.710470 Rb\n0.531255 0.005577 0.789546 Rb\n0.468890 0.494523 0.289564 Rb\n0.468852 0.994532 0.210515 Rb\n0.343123 0.641440 0.989782 Rb\n0.343053 0.141380 0.510290 Rb\n0.656967 0.858577 0.489747 Rb\n0.656983 0.358635 0.010302 Rb\n0.843337 0.845334 0.003670 Mn\n0.156602 0.654767 0.503434 Mn\n0.156666 0.154719 0.996451 Mn\n0.843233 0.345129 0.496352 Mn\n0.270104 0.801046 0.383127 O\n0.729603 0.698760 0.883141 O\n0.729861 0.198900 0.616815 O\n0.270434 0.301293 0.116893 O\n0.895923 0.095301 0.930399 O\n0.103905 0.404512 0.430212 O\n0.895923 0.595327 0.569624 O\n0.104024 0.904733 0.069685 O\n0.300318 0.770691 0.624948 O\n0.699459 0.229054 0.374948 O\n0.699668 0.729325 0.125061 O\n0.300343 0.270680 0.875020 O\n",
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{
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"structure_string": "Dy3 Ni9 Sn6\n1.0\n0.000000 0.000000 -4.084922\n-4.743073 -8.215243 0.000000\n-4.743073 8.215243 0.000000\nDy Ni Sn\n3 9 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.666667 0.333333 Dy\n0.500000 0.333333 0.666667 Dy\n0.000000 0.817068 0.182932 Ni\n0.000000 0.182932 0.817068 Ni\n0.000000 0.365863 0.182932 Ni\n0.000000 0.634137 0.817068 Ni\n0.000000 0.817068 0.634137 Ni\n0.000000 0.182932 0.365863 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.677969 0.677969 Sn\n0.500000 0.322031 0.322031 Sn\n0.500000 0.000000 0.322031 Sn\n0.500000 0.000000 0.677969 Sn\n0.500000 0.322031 0.000000 Sn\n0.500000 0.677969 0.000000 Sn\n",
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"volume": 318.3420340108347,
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"formula_full": "Dy3 Ni9 Sn6",
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"updated_at": "2021-11-28T01:34:56.514000Z",
"spacegroup": 191
},
{
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"structure_string": "Nb4 Ni1 C2 S4\n1.0\n3.319638 0.000000 0.000000\n0.000000 5.735542 0.000000\n0.000000 1.835783 8.459505\nNb Ni C S\n4 1 2 4\ndirect\n0.500000 0.630814 0.637003 Nb\n0.000000 0.115211 0.637139 Nb\n0.500000 0.369186 0.362997 Nb\n0.000000 0.884789 0.362861 Nb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.776177 0.163348 S\n0.000000 0.277443 0.165279 S\n0.500000 0.223823 0.836652 S\n0.000000 0.722557 0.834721 S\n",
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"volume": 161.06832528834312,
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"formula_full": "Nb4 Ni1 C2 S4",
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{
"id": "mp-800160",
"created_at": "2022-09-04T14:40:18.478264Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n8.141965 0.000000 0.000000\n-0.898993 6.097672 0.000000\n-1.142991 -1.984585 5.498787\nLi Mn P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.366037 0.225193 0.681061 Mn\n0.633963 0.774807 0.318939 Mn\n0.822091 0.209419 0.533725 P\n0.444701 0.321426 0.228632 P\n0.555299 0.678574 0.771368 P\n0.177909 0.790581 0.466275 P\n0.802668 0.050362 0.365402 O\n0.683896 0.182761 0.707544 O\n0.412063 0.202638 0.998767 O\n0.285471 0.214190 0.342617 O\n0.724183 0.349154 0.390726 O\n0.083004 0.310315 0.689364 O\n0.608108 0.505792 0.792482 O\n0.391892 0.494208 0.207518 O\n0.916996 0.689685 0.310636 O\n0.275817 0.650846 0.609274 O\n0.714529 0.785810 0.657383 O\n0.587937 0.797362 0.001233 O\n0.316104 0.817239 0.292456 O\n0.197332 0.949638 0.634598 O\n",
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},
{
"id": "mp-725014",
"created_at": "2022-09-04T14:40:32.540290Z",
"structure_string": "Sr1 Br2 O6\n1.0\n3.403839 4.567392 0.000000\n-3.403839 4.567392 0.000000\n0.000000 0.445954 4.437228\nSr Br O\n1 2 6\ndirect\n0.054088 0.945912 0.000000 Sr\n0.420854 0.280472 0.311543 Br\n0.719528 0.579146 0.688457 Br\n0.914919 0.741951 0.512359 O\n0.258049 0.085081 0.487641 O\n0.732234 0.267766 0.500000 O\n0.914210 0.434052 0.949310 O\n0.565948 0.085790 0.050690 O\n0.420169 0.579831 0.000000 O\n",
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"formula_full": "Sr1 Br2 O6",
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{
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{
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"elements": [
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"density_atomic": 0.10470592414612856,
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"formula_full": "Li8 Ti4 Cr4 O16",
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"spacegroup": 5
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{
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"structure_string": "Cs4 Li6 Ga2 O8\n1.0\n-2.545603 5.064177 6.009021\n2.545603 -5.064177 6.009021\n2.545603 5.064177 -6.009021\nCs Li Ga O\n4 6 2 8\ndirect\n0.372456 0.238581 0.611037 Cs\n0.627544 0.761419 0.388963 Cs\n0.872456 0.261419 0.133875 Cs\n0.127544 0.738581 0.866125 Cs\n0.490268 0.750000 0.740268 Li\n0.990268 0.250000 0.740268 Li\n0.009732 0.750000 0.259732 Li\n0.250000 0.750000 0.500000 Li\n0.509732 0.250000 0.259732 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n0.058317 0.943642 0.650348 O\n0.206706 0.556358 0.114675 O\n0.793294 0.443642 0.885325 O\n0.558317 0.907969 0.114675 O\n0.941683 0.056358 0.349652 O\n0.706706 0.592031 0.650348 O\n0.441683 0.092031 0.885325 O\n0.293294 0.407969 0.349652 O\n",
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]
}