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{
"id": "oqmd-14244",
"created_at": "2022-09-04T14:48:47.557339Z",
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"structure_string": "Si4 P4 Ru1\n1.0\n4.965394 0.000088 0.001337\n1.874155 5.348072 0.000765\n2.297521 -0.289951 5.751957\nP Ru Si\n4 1 4\ndirect\n0.621739 0.411461 0.121671 P\n0.160088 0.015596 0.318857 P\n0.766167 0.641715 0.563971 P\n0.341578 0.226780 0.758731 P\n0.000000 0.000360 0.000000 Ru\n0.670995 0.774868 0.225854 Si\n0.237628 0.344080 0.432268 Si\n0.843989 0.972420 0.689801 Si\n0.357758 0.594520 0.880441 Si\n",
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{
"id": "oqmd-14243",
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"structure_string": "Fe1 Si4 P4\n1.0\n4.879700 -0.003783 -0.000799\n1.854732 5.221424 -0.003045\n2.233350 -0.274193 5.639641\nFe P Si\n1 4 4\ndirect\n0.999687 0.001119 0.000337 Fe\n0.636226 0.398951 0.116253 P\n0.155606 0.010468 0.308359 P\n0.762251 0.641158 0.564976 P\n0.328687 0.217877 0.769504 P\n0.680481 0.778035 0.216732 Si\n0.239476 0.338870 0.430714 Si\n0.847334 0.971730 0.697712 Si\n0.343451 0.600092 0.886213 Si\n",
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{
"id": "oqmd-31821",
"created_at": "2022-09-04T14:48:54.474301Z",
"updated_at": "2022-09-04T14:48:54.474321Z",
"structure_string": "Li11 B4 O12\n1.0\n3.166269 -0.009395 0.028016\n-0.026807 9.122458 -0.009059\n-1.474537 -0.003519 8.123610\nB Li O\n4 11 12\ndirect\n0.804740 0.680829 0.244321 B\n0.211643 0.186195 0.258581 B\n0.800894 0.818042 0.746524 B\n0.192713 0.317865 0.747719 B\n0.285679 0.450315 0.103655 Li\n0.098909 0.925726 0.128893 Li\n0.898912 0.429267 0.365655 Li\n0.729801 0.972718 0.385478 Li\n0.502835 0.734719 0.479991 Li\n0.493342 0.260721 0.525036 Li\n0.277614 0.018233 0.616330 Li\n0.089160 0.575832 0.635805 Li\n0.906156 0.098662 0.885661 Li\n0.719857 0.522849 0.890296 Li\n0.498637 0.761957 0.978628 Li\n0.041333 0.135408 0.108686 O\n0.784231 0.585937 0.112930 O\n0.631868 0.821422 0.219495 O\n0.361992 0.327205 0.290466 O\n0.237003 0.089760 0.391574 O\n0.972515 0.637212 0.402223 O\n0.012756 0.367954 0.592996 O\n0.773598 0.902840 0.606791 O\n0.627398 0.676469 0.729345 O\n0.367368 0.179529 0.759562 O\n0.211919 0.412680 0.876098 O\n0.971609 0.872346 0.899097 O\n",
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{
"id": "oqmd-31796",
"created_at": "2022-09-04T14:48:53.026909Z",
"updated_at": "2022-09-04T14:48:53.026928Z",
"structure_string": "Li5 P2 O8\n1.0\n5.998778 0.008911 -0.007381\n0.007574 5.211148 0.005925\n-0.005769 0.005487 4.791236\nLi O P\n5 8 2\ndirect\n0.001825 0.162502 0.483226 Li\n0.253813 0.668743 0.488104 Li\n0.748453 0.668511 0.491826 Li\n0.498494 0.836025 0.992461 Li\n0.754144 0.336571 0.998847 Li\n0.998716 0.821102 0.318272 O\n0.710627 0.316885 0.388795 O\n0.502775 0.891588 0.394535 O\n0.288170 0.312138 0.416276 O\n0.515991 0.171980 0.823249 O\n0.213510 0.706915 0.883281 O\n0.977486 0.103418 0.884609 O\n0.788508 0.677566 0.890533 O\n0.504365 0.172318 0.501092 P\n0.996544 0.824881 0.995939 P\n",
"nsites": 15,
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"elements": [
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{
"id": "oqmd-2789",
"created_at": "2022-09-04T14:48:53.131337Z",
"updated_at": "2022-09-04T14:48:53.131367Z",
"structure_string": "Re2 Cl5 O4\n1.0\n5.774069 0.014225 0.015507\n-0.509355 5.950655 0.015961\n-0.860763 -3.433412 7.183874\nCl O Re\n5 4 2\ndirect\n0.345768 0.251571 0.009804 Cl\n0.784183 0.734248 0.070697 Cl\n0.952392 0.313252 0.274884 Cl\n0.605914 0.321153 0.605917 Cl\n0.162432 0.666285 0.797683 Cl\n0.296320 0.938472 0.209296 O\n0.496216 0.725755 0.437633 O\n0.111224 0.981663 0.531912 O\n0.823148 0.054028 0.846915 O\n0.365894 0.973952 0.437800 Re\n0.014511 0.004023 0.998358 Re\n",
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"elements": [
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"spacegroup": 1
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{
"id": "oqmd-31822",
"created_at": "2022-09-04T14:48:54.529995Z",
"updated_at": "2022-09-04T14:48:54.530019Z",
"structure_string": "Li11 B4 O12\n1.0\n3.148911 -0.000632 0.015846\n-0.002156 9.191474 0.088362\n-1.496905 0.077995 8.079116\nB Li O\n4 11 12\ndirect\n0.188076 0.181259 0.251782 B\n0.799847 0.687428 0.252164 B\n0.208400 0.313323 0.741201 B\n0.802051 0.814311 0.751285 B\n0.485417 0.266900 0.038666 Li\n0.076102 0.926591 0.129968 Li\n0.902931 0.438217 0.319869 Li\n0.715451 0.972603 0.388284 Li\n0.498540 0.733106 0.490631 Li\n0.502774 0.265190 0.507078 Li\n0.274306 0.019967 0.613173 Li\n0.097728 0.564929 0.645732 Li\n0.908156 0.080529 0.872452 Li\n0.777376 0.515337 0.918239 Li\n0.484564 0.753866 0.979931 Li\n0.999324 0.137893 0.096610 O\n0.794637 0.597489 0.122694 O\n0.616954 0.826103 0.226001 O\n0.380179 0.316406 0.270604 O\n0.216281 0.088014 0.387719 O\n0.969596 0.639617 0.410802 O\n0.027863 0.360580 0.584118 O\n0.772396 0.901486 0.610734 O\n0.637866 0.673224 0.737222 O\n0.367026 0.172489 0.767558 O\n0.249772 0.408234 0.869220 O\n0.967351 0.868414 0.903858 O\n",
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{
"id": "oqmd-31827",
"created_at": "2022-09-04T14:48:56.581715Z",
"updated_at": "2022-09-04T14:48:56.581742Z",
"structure_string": "K8 Li31 Al8 O32\n1.0\n5.519250 0.012381 0.013447\n0.033670 15.063734 0.004365\n-3.679181 -0.005198 10.342882\nAl K Li O\n8 8 31 32\ndirect\n0.809636 0.772636 0.121587 Al\n0.386555 0.485006 0.205892 Al\n0.612114 0.984254 0.295658 Al\n0.193819 0.271374 0.378917 Al\n0.814490 0.727505 0.623393 Al\n0.381379 0.015107 0.703546 Al\n0.619447 0.513571 0.794748 Al\n0.188271 0.226310 0.878341 Al\n0.036898 0.068915 0.160737 K\n0.594374 0.207110 0.231879 K\n0.407160 0.698878 0.272683 K\n0.966329 0.560144 0.348095 K\n0.036880 0.437085 0.647360 K\n0.588279 0.300192 0.723598 K\n0.411148 0.799639 0.775200 K\n0.963823 0.933545 0.842593 K\n0.521849 0.654663 0.002914 Li\n0.893212 0.235895 0.021302 Li\n0.628308 0.928666 0.022100 Li\n0.061359 0.575413 0.043328 Li\n0.689312 0.480957 0.076675 Li\n0.327440 0.881008 0.129224 Li\n0.207817 0.341269 0.129405 Li\n0.898692 0.378800 0.238980 Li\n0.088959 0.875763 0.272570 Li\n0.784764 0.838125 0.373452 Li\n0.306797 0.982106 0.422875 Li\n0.931927 0.076526 0.457106 Li\n0.418770 0.425914 0.470759 Li\n0.105341 0.734218 0.478322 Li\n0.479641 0.153827 0.498330 Li\n0.519603 0.843194 0.503818 Li\n0.893105 0.272679 0.516034 Li\n0.622548 0.577937 0.521512 Li\n0.060295 0.923267 0.542095 Li\n0.688029 0.015600 0.576900 Li\n0.207633 0.161954 0.624836 Li\n0.332580 0.618591 0.630475 Li\n0.904790 0.124831 0.725114 Li\n0.093582 0.623125 0.774137 Li\n0.669396 0.118166 0.870141 Li\n0.788055 0.659682 0.872519 Li\n0.310885 0.515157 0.921827 Li\n0.940140 0.422790 0.958526 Li\n0.371157 0.071984 0.979023 Li\n0.105217 0.763617 0.979316 Li\n0.477645 0.343368 0.995220 Li\n0.898605 0.680567 0.048328 O\n0.471210 0.787967 0.048814 O\n0.963473 0.867080 0.080266 O\n0.435434 0.565094 0.097524 O\n0.492696 0.004086 0.130316 O\n0.048672 0.462604 0.142536 O\n0.544004 0.390498 0.169830 O\n0.063011 0.258646 0.208802 O\n0.934839 0.758938 0.292082 O\n0.447244 0.888382 0.324373 O\n0.948281 0.963512 0.359320 O\n0.481296 0.522875 0.363871 O\n0.555496 0.065436 0.398666 O\n0.065775 0.368800 0.425884 O\n0.090706 0.180444 0.448161 O\n0.529521 0.280223 0.457084 O\n0.900980 0.819375 0.550098 O\n0.476033 0.711649 0.552041 O\n0.969061 0.632858 0.582175 O\n0.436893 0.933090 0.600940 O\n0.507857 0.493949 0.628972 O\n0.045565 0.036402 0.639710 O\n0.546876 0.110550 0.675340 O\n0.064720 0.242049 0.708016 O\n0.938364 0.740681 0.793746 O\n0.451413 0.609470 0.822933 O\n0.953719 0.535464 0.859874 O\n0.500945 0.994538 0.868904 O\n0.562853 0.431914 0.896980 O\n0.032980 0.131787 0.917958 O\n0.526770 0.210425 0.951182 O\n0.099712 0.317994 0.952370 O\n",
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"formula_full": "K8 Li31 Al8 O32",
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{
"id": "oqmd-31830",
"created_at": "2022-09-04T14:48:56.132280Z",
"updated_at": "2022-09-04T14:48:56.132300Z",
"structure_string": "K8 Li31 Al8 O31\n1.0\n5.516327 -0.025708 0.009845\n-0.069230 15.061776 0.029775\n-3.684019 0.037927 10.375507\nAl K Li O\n8 8 31 31\ndirect\n0.808520 0.774376 0.121963 Al\n0.370686 0.483256 0.206576 Al\n0.616843 0.985267 0.294862 Al\n0.198745 0.273760 0.376670 Al\n0.809384 0.726799 0.622192 Al\n0.387462 0.015242 0.702237 Al\n0.609615 0.514796 0.792967 Al\n0.197796 0.230277 0.881357 Al\n0.045352 0.073383 0.157390 K\n0.609252 0.200323 0.227247 K\n0.403527 0.700802 0.273703 K\n0.953849 0.565288 0.342061 K\n0.022370 0.426919 0.654431 K\n0.602444 0.292544 0.729499 K\n0.408228 0.802529 0.774564 K\n0.971622 0.937954 0.845544 K\n0.520056 0.655862 0.009080 Li\n0.873245 0.242796 0.019426 Li\n0.632855 0.931497 0.022292 Li\n0.049774 0.577934 0.047524 Li\n0.677957 0.476796 0.089127 Li\n0.256297 0.326745 0.112344 Li\n0.328770 0.882153 0.128667 Li\n0.912312 0.372254 0.221204 Li\n0.090432 0.877940 0.271486 Li\n0.677142 0.380859 0.370845 Li\n0.786687 0.839165 0.372696 Li\n0.311291 0.983675 0.422023 Li\n0.942442 0.076785 0.456220 Li\n0.369799 0.427446 0.477400 Li\n0.103716 0.736812 0.477666 Li\n0.483584 0.156400 0.495059 Li\n0.523383 0.844909 0.503311 Li\n0.905381 0.263603 0.520470 Li\n0.619482 0.574510 0.520861 Li\n0.061243 0.923677 0.541578 Li\n0.693321 0.018634 0.576659 Li\n0.219335 0.161399 0.625263 Li\n0.318273 0.618060 0.627635 Li\n0.920692 0.125160 0.728573 Li\n0.080705 0.622667 0.772096 Li\n0.677004 0.116748 0.871337 Li\n0.778648 0.662112 0.875291 Li\n0.295838 0.521101 0.926959 Li\n0.960539 0.425342 0.966426 Li\n0.378144 0.076488 0.976884 Li\n0.101765 0.765085 0.978540 Li\n0.893838 0.682253 0.049002 O\n0.468610 0.787099 0.050756 O\n0.963424 0.868874 0.079834 O\n0.428405 0.563781 0.099346 O\n0.497638 0.005403 0.129782 O\n0.032707 0.467574 0.138996 O\n0.555309 0.392245 0.186228 O\n0.084048 0.261057 0.206387 O\n0.933874 0.759915 0.291921 O\n0.450127 0.889089 0.324107 O\n0.952351 0.964288 0.358668 O\n0.486977 0.509553 0.369751 O\n0.564082 0.067000 0.397509 O\n0.039791 0.366829 0.417371 O\n0.105016 0.180698 0.447745 O\n0.537050 0.289630 0.454372 O\n0.900181 0.818541 0.548851 O\n0.470013 0.710212 0.551487 O\n0.959534 0.630996 0.582580 O\n0.439417 0.933640 0.599186 O\n0.487434 0.494052 0.630329 O\n0.052078 0.036621 0.638538 O\n0.557466 0.110557 0.674019 O\n0.083006 0.242096 0.708592 O\n0.933121 0.738404 0.792393 O\n0.441223 0.605224 0.828723 O\n0.941067 0.534404 0.862799 O\n0.501440 0.992446 0.866374 O\n0.036194 0.132758 0.916788 O\n0.067900 0.320498 0.938822 O\n0.526501 0.201696 0.953586 O\n",
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{
"id": "oqmd-31826",
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