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{
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{
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"structure_string": "K2 Ta2 Cl12\n1.0\n0.000000 -6.514229 0.000000\n-6.010149 3.257114 1.289944\n-0.021057 0.000000 -12.542162\nK Ta Cl\n2 2 12\ndirect\n0.882353 0.000000 0.750000 K\n0.117647 0.000000 0.250000 K\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.462062 0.163105 0.895435 Cl\n0.537938 0.836895 0.104565 Cl\n0.298957 0.836895 0.604565 Cl\n0.701043 0.163105 0.395435 Cl\n0.372048 0.569941 0.841010 Cl\n0.627952 0.430059 0.158990 Cl\n0.802107 0.430059 0.658990 Cl\n0.197893 0.569941 0.341010 Cl\n0.798713 0.692064 0.460465 Cl\n0.201287 0.307936 0.539535 Cl\n0.106649 0.307936 0.039535 Cl\n0.893351 0.692064 0.960465 Cl\n",
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{
"id": "mp-734295",
"created_at": "2022-09-04T14:45:41.568331Z",
"structure_string": "Ba2 Pt2 O14\n1.0\n4.977776 0.000000 0.000000\n0.000000 6.780155 0.000000\n0.000000 2.103165 7.696391\nBa Pt O\n2 2 14\ndirect\n0.750000 0.249530 0.559514 Ba\n0.250000 0.750470 0.440486 Ba\n0.750000 0.649271 0.810455 Pt\n0.250000 0.350729 0.189545 Pt\n0.750000 0.644663 0.085772 O\n0.250000 0.355337 0.914228 O\n0.750000 0.678362 0.556794 O\n0.250000 0.321638 0.443206 O\n0.012797 0.417393 0.807492 O\n0.512797 0.582607 0.192508 O\n0.987203 0.582607 0.192508 O\n0.487203 0.417393 0.807492 O\n0.017163 0.887554 0.758923 O\n0.517163 0.112446 0.241077 O\n0.982837 0.112446 0.241077 O\n0.482837 0.887554 0.758923 O\n0.750000 0.122015 0.132350 O\n0.250000 0.877985 0.867650 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "Ba2 Pt2 O14",
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{
"id": "mp-1237009",
"created_at": "2022-09-04T14:45:41.569437Z",
"structure_string": "K6 Pu2 H12 O16\n1.0\n8.509508 0.000000 0.000000\n0.000000 7.831099 0.000000\n0.000000 3.771169 6.938156\nK Pu H O\n6 2 12 16\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.197457 0.448427 0.090270 K\n0.697457 0.051573 0.909730 K\n0.802543 0.551573 0.909730 K\n0.302543 0.948427 0.090270 K\n0.000000 0.000000 0.500000 Pu\n0.500000 0.500000 0.500000 Pu\n0.206776 0.136002 0.695449 H\n0.706776 0.363998 0.304551 H\n0.793224 0.863998 0.304551 H\n0.293224 0.636002 0.695449 H\n0.038535 0.187347 0.861014 H\n0.538535 0.312653 0.138986 H\n0.961465 0.812653 0.138986 H\n0.461465 0.687347 0.861014 H\n0.968935 0.142065 0.068258 H\n0.468935 0.357935 0.931742 H\n0.031065 0.857935 0.931742 H\n0.531065 0.642065 0.068258 H\n0.096628 0.095886 0.727179 O\n0.596628 0.404114 0.272821 O\n0.903372 0.904114 0.272821 O\n0.403372 0.595886 0.727179 O\n0.193386 0.055649 0.367411 O\n0.693386 0.444351 0.632589 O\n0.806614 0.944351 0.632589 O\n0.306614 0.555649 0.367411 O\n0.932006 0.260050 0.332162 O\n0.432006 0.239950 0.667838 O\n0.067994 0.739950 0.667838 O\n0.567994 0.760050 0.332162 O\n0.003284 0.250145 0.941732 O\n0.503284 0.249855 0.058268 O\n0.996716 0.749855 0.058268 O\n0.496716 0.750145 0.941732 O\n",
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"density_atomic": 0.07786302552435155,
"volume": 462.3503872032439,
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"formula_full": "K6 Pu2 H12 O16",
"formula_reduced": "K3Pu(H3O4)2",
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"spacegroup": 14
},
{
"id": "mp-998985",
"created_at": "2022-09-04T14:45:41.570189Z",
"structure_string": "Ti2 Au2\n1.0\n3.013034 0.000000 0.000000\n0.000000 4.638626 0.000000\n0.000000 0.000000 4.935737\nTi Au\n2 2\ndirect\n0.000000 0.750000 0.312972 Ti\n0.000000 0.250000 0.687028 Ti\n0.500000 0.750000 0.818805 Au\n0.500000 0.250000 0.181195 Au\n",
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"spacegroup": 51
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{
"id": "mp-777423",
"created_at": "2022-09-04T14:45:41.489032Z",
"structure_string": "Na12 Ti4 O14\n1.0\n4.382006 4.058720 0.000000\n-4.382006 4.058720 0.000000\n0.000000 3.303356 12.035874\nNa Ti O\n12 4 14\ndirect\n0.759218 0.049489 0.581259 Na\n0.489118 0.048756 0.865657 Na\n0.500000 0.500000 0.500000 Na\n0.435539 0.564461 0.750000 Na\n0.049489 0.759218 0.081259 Na\n0.048756 0.489118 0.365657 Na\n0.951244 0.510882 0.634343 Na\n0.950511 0.240782 0.918741 Na\n0.564461 0.435539 0.250000 Na\n0.510882 0.951244 0.134343 Na\n0.240782 0.950511 0.418741 Na\n0.500000 0.500000 0.000000 Na\n0.927043 0.764573 0.860443 Ti\n0.235427 0.072957 0.639557 Ti\n0.764573 0.927043 0.360443 Ti\n0.072957 0.235427 0.139557 Ti\n0.201493 0.696111 0.892532 O\n0.696111 0.201493 0.392532 O\n0.474147 0.229946 0.677088 O\n0.748643 0.847276 0.978550 O\n0.962493 0.037507 0.750000 O\n0.152724 0.251357 0.521450 O\n0.229946 0.474147 0.177088 O\n0.770054 0.525853 0.822912 O\n0.847276 0.748643 0.478550 O\n0.037507 0.962493 0.250000 O\n0.251357 0.152724 0.021450 O\n0.525853 0.770054 0.322912 O\n0.303889 0.798507 0.607468 O\n0.798507 0.303889 0.107468 O\n",
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{
"id": "mp-758358",
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"structure_string": "Li9 V9 P12 O48\n1.0\n8.403827 0.000000 0.000000\n0.019952 8.844447 0.000000\n0.014951 1.293660 13.460979\nLi V P O\n9 9 12 48\ndirect\n0.479191 0.660912 0.829083 Li\n0.523819 0.001922 0.502871 Li\n0.145820 0.561908 0.824266 Li\n0.646551 0.939633 0.178314 Li\n0.004048 0.181372 0.842703 Li\n0.989596 0.485721 0.496978 Li\n0.974157 0.839556 0.172545 Li\n0.852032 0.102448 0.507536 Li\n0.508227 0.316490 0.161299 Li\n0.854815 0.768316 0.839240 V\n0.142254 0.897973 0.495179 V\n0.650343 0.267886 0.839960 V\n0.654385 0.604416 0.501264 V\n0.348966 0.065068 0.832291 V\n0.353219 0.398432 0.495766 V\n0.357690 0.735159 0.160442 V\n0.844700 0.433968 0.170427 V\n0.148011 0.229440 0.159459 V\n0.192781 0.854013 0.943793 P\n0.697366 0.974256 0.720144 P\n0.297893 0.360650 0.943660 P\n0.302703 0.692385 0.613721 P\n0.800827 0.479373 0.724072 P\n0.810799 0.811528 0.385660 P\n0.199140 0.187348 0.610500 P\n0.200045 0.524044 0.275762 P\n0.702243 0.307397 0.390247 P\n0.693540 0.645507 0.056773 P\n0.299685 0.021234 0.277132 P\n0.798504 0.138935 0.056684 P\n0.862378 0.977955 0.776880 O\n0.359405 0.853752 0.887743 O\n0.075186 0.745906 0.899787 O\n0.712465 0.692313 0.945052 O\n0.643601 0.809649 0.751449 O\n0.369658 0.517110 0.928526 O\n0.355954 0.857028 0.581975 O\n0.296372 0.643246 0.722808 O\n0.915388 0.592229 0.769343 O\n0.285419 0.975545 0.388779 O\n0.924963 0.919045 0.436351 O\n0.633632 0.477369 0.778444 O\n0.138836 0.348393 0.892125 O\n0.642720 0.811913 0.442823 O\n0.138080 0.687381 0.556814 O\n0.421668 0.240774 0.897468 O\n0.796239 0.199971 0.943279 O\n0.420140 0.578604 0.560391 O\n0.787823 0.526021 0.611802 O\n0.416324 0.908789 0.231864 O\n0.854984 0.313245 0.748214 O\n0.796346 0.854505 0.275490 O\n0.857152 0.641746 0.414917 O\n0.871238 0.983208 0.070897 O\n0.147345 0.023848 0.921524 O\n0.146591 0.354080 0.585443 O\n0.212700 0.140610 0.722851 O\n0.144792 0.688878 0.252845 O\n0.581093 0.088149 0.774224 O\n0.211469 0.471183 0.387279 O\n0.579166 0.428529 0.436542 O\n0.212168 0.806860 0.055978 O\n0.575821 0.755274 0.100714 O\n0.862250 0.318458 0.441105 O\n0.367136 0.189853 0.556631 O\n0.859163 0.644960 0.113572 O\n0.364741 0.521918 0.220976 O\n0.084602 0.075265 0.565264 O\n0.703024 0.023739 0.611009 O\n0.082060 0.410749 0.228264 O\n0.704353 0.366917 0.276782 O\n0.628296 0.152174 0.406915 O\n0.646208 0.476275 0.078901 O\n0.350856 0.188022 0.251795 O\n0.294298 0.301358 0.057333 O\n0.920223 0.258586 0.104414 O\n0.638160 0.150701 0.107683 O\n0.134160 0.020629 0.220966 O\n",
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{
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"structure_string": "Ca4 Al4 Si6 O24\n1.0\n4.704770 0.000000 0.000000\n0.000000 5.516569 0.000000\n0.000000 5.152011 18.692310\nCa Al Si O\n4 4 6 24\ndirect\n0.009347 0.404471 0.600913 Ca\n0.009347 0.595529 0.899087 Ca\n0.990653 0.595529 0.399087 Ca\n0.990653 0.404471 0.100913 Ca\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.194210 0.500000 0.750000 Al\n0.805790 0.500000 0.250000 Al\n0.498606 0.874271 0.619169 Si\n0.498606 0.125729 0.880831 Si\n0.501394 0.125729 0.380831 Si\n0.501394 0.874271 0.119169 Si\n0.808232 0.000000 0.750000 Si\n0.191768 0.000000 0.250000 Si\n0.622353 0.029526 0.676618 O\n0.362143 0.607541 0.666883 O\n0.622353 0.970474 0.823382 O\n0.362143 0.392459 0.833117 O\n0.377647 0.970474 0.323382 O\n0.637857 0.392459 0.333117 O\n0.377647 0.029526 0.176618 O\n0.637857 0.607541 0.166883 O\n0.825923 0.308621 0.500887 O\n0.174077 0.691379 0.499113 O\n0.825923 0.691379 0.999113 O\n0.174077 0.308621 0.000887 O\n0.993755 0.257085 0.730610 O\n0.993755 0.742915 0.769390 O\n0.006245 0.742915 0.269390 O\n0.006245 0.257085 0.230610 O\n0.255798 0.058536 0.573421 O\n0.764730 0.803826 0.574816 O\n0.255798 0.941464 0.926579 O\n0.764730 0.196174 0.925184 O\n0.744202 0.941464 0.426579 O\n0.235270 0.196174 0.425184 O\n0.744202 0.058536 0.073421 O\n0.235270 0.803826 0.074816 O\n",
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{
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{
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{
"id": "mp-1228408",
"created_at": "2022-09-04T14:45:41.631378Z",
"structure_string": "Ba3 Sr1 Y8 Cu4 O20\n1.0\n5.696276 0.000000 0.000000\n0.000000 7.235820 0.000000\n0.000000 0.024494 12.220683\nBa Sr Y Cu O\n3 1 8 4 20\ndirect\n0.000000 0.069838 0.094988 Ba\n0.500000 0.568603 0.406109 Ba\n0.500000 0.930894 0.904933 Ba\n0.000000 0.425731 0.591780 Sr\n0.000000 0.894559 0.427411 Y\n0.000000 0.603246 0.925415 Y\n0.500000 0.105836 0.574164 Y\n0.500000 0.396132 0.073907 Y\n0.000000 0.612649 0.214097 Y\n0.000000 0.886129 0.711842 Y\n0.500000 0.387798 0.785742 Y\n0.500000 0.113165 0.287925 Y\n0.000000 0.220990 0.837052 Cu\n0.000000 0.281948 0.340177 Cu\n0.500000 0.781466 0.161580 Cu\n0.500000 0.718121 0.660320 Cu\n0.000000 0.578111 0.407141 O\n0.000000 0.916048 0.899442 O\n0.500000 0.418829 0.598434 O\n0.500000 0.082932 0.100202 O\n0.746584 0.853635 0.273209 O\n0.252219 0.643437 0.770379 O\n0.242832 0.150135 0.725199 O\n0.754276 0.354764 0.228302 O\n0.757168 0.150135 0.725199 O\n0.245724 0.354764 0.228302 O\n0.253416 0.853635 0.273209 O\n0.747781 0.643437 0.770379 O\n0.256069 0.662704 0.068133 O\n0.742724 0.838413 0.567944 O\n0.756370 0.336771 0.932119 O\n0.242561 0.163628 0.433383 O\n0.243630 0.336771 0.932119 O\n0.757439 0.163628 0.433383 O\n0.743931 0.662704 0.068133 O\n0.257276 0.838413 0.567944 O\n",
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{
"id": "mp-1246286",
"created_at": "2022-09-04T14:45:41.658211Z",
"structure_string": "Mg2 Ga4 S8\n1.0\n6.363494 -0.000114 3.674085\n2.121129 5.999588 3.673960\n0.000029 -0.000133 7.348122\nMg Ga S\n2 4 8\ndirect\n0.874992 0.875002 0.875016 Mg\n0.125014 0.124994 0.124994 Mg\n0.500002 0.500027 0.499962 Ga\n0.500000 0.499992 0.999995 Ga\n0.999997 0.499989 0.500019 Ga\n0.499991 0.000001 0.500009 Ga\n0.738756 0.738745 0.738737 S\n0.261246 0.261258 0.716237 S\n0.261243 0.716238 0.261266 S\n0.716244 0.261250 0.261257 S\n0.738747 0.283763 0.738727 S\n0.283757 0.738743 0.738746 S\n0.261246 0.261246 0.261275 S\n0.738769 0.738745 0.283763 S\n",
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]
}