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{
"id": "mp-1199647",
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"structure_string": "Mo6 H24 C6 N12 O24\n1.0\n0.000000 -7.543334 0.000000\n-7.814664 0.000000 0.227273\n0.020740 0.000000 -13.169564\nMo H C N O\n6 24 6 12 24\ndirect\n0.513501 0.500000 0.250000 Mo\n0.486499 0.500000 0.750000 Mo\n0.250912 0.168563 0.339191 Mo\n0.250912 0.831437 0.160809 Mo\n0.749088 0.831437 0.660809 Mo\n0.749088 0.168563 0.839191 Mo\n0.940216 0.698402 0.339058 H\n0.940216 0.301598 0.160942 H\n0.059784 0.301598 0.660942 H\n0.059784 0.698402 0.839058 H\n0.952760 0.714111 0.470719 H\n0.952760 0.285889 0.029281 H\n0.047240 0.285889 0.529281 H\n0.047240 0.714111 0.970719 H\n0.410087 0.638967 0.483854 H\n0.410087 0.361033 0.016146 H\n0.589913 0.361033 0.516146 H\n0.589913 0.638967 0.983854 H\n0.212014 0.643655 0.551611 H\n0.212014 0.356345 0.948389 H\n0.787986 0.356345 0.448389 H\n0.787986 0.643655 0.051611 H\n0.660876 0.024052 0.404507 H\n0.660876 0.975948 0.095493 H\n0.339124 0.975948 0.595493 H\n0.339124 0.024052 0.904507 H\n0.856909 0.037834 0.335628 H\n0.856909 0.962166 0.164372 H\n0.143091 0.962166 0.664372 H\n0.143091 0.037834 0.835628 H\n0.188343 0.675687 0.398215 C\n0.188343 0.324313 0.101785 C\n0.811657 0.324313 0.601785 C\n0.811657 0.675687 0.898215 C\n0.634287 0.000000 0.250000 C\n0.365713 0.000000 0.750000 C\n0.015818 0.716959 0.402277 N\n0.015818 0.283041 0.097723 N\n0.984182 0.283041 0.597723 N\n0.984182 0.716959 0.902277 N\n0.275526 0.640586 0.483617 N\n0.275526 0.359414 0.016383 N\n0.724474 0.359414 0.516382 N\n0.724474 0.640586 0.983618 N\n0.722384 0.036974 0.336125 N\n0.722384 0.963026 0.163875 N\n0.277616 0.963026 0.663875 N\n0.277616 0.036974 0.836125 N\n0.270652 0.670139 0.311861 O\n0.270652 0.329861 0.188139 O\n0.729348 0.329861 0.688139 O\n0.729348 0.670139 0.811861 O\n0.462201 0.000000 0.250000 O\n0.537799 0.000000 0.750000 O\n0.437269 0.338431 0.351233 O\n0.437269 0.661569 0.148767 O\n0.562731 0.661569 0.648767 O\n0.562731 0.338431 0.851233 O\n0.131343 0.000000 0.250000 O\n0.868657 0.000000 0.750000 O\n0.303427 0.054597 0.446005 O\n0.303427 0.945403 0.053995 O\n0.696573 0.945403 0.553995 O\n0.696573 0.054597 0.946005 O\n0.060396 0.282389 0.376817 O\n0.060396 0.717611 0.123183 O\n0.939604 0.717611 0.623183 O\n0.939604 0.282389 0.876817 O\n0.655683 0.619151 0.328421 O\n0.655683 0.380849 0.171579 O\n0.344317 0.380849 0.671579 O\n0.344317 0.619151 0.828421 O\n",
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"formula_full": "Mo6 H24 C6 N12 O24",
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{
"id": "mp-555695",
"created_at": "2022-09-04T14:46:42.651746Z",
"structure_string": "Mo4 P4 Cl24 O8\n1.0\n13.857531 0.000000 0.000000\n0.000000 6.727193 0.000000\n0.000000 2.725497 12.541856\nMo P Cl O\n4 4 24 8\ndirect\n0.131445 0.924018 0.022661 Mo\n0.631445 0.075982 0.477339 Mo\n0.368555 0.924018 0.522661 Mo\n0.868555 0.075982 0.977339 Mo\n0.967409 0.393588 0.724226 P\n0.532591 0.393588 0.224226 P\n0.467409 0.606412 0.775774 P\n0.032591 0.606412 0.275774 P\n0.093590 0.535482 0.702615 Cl\n0.593590 0.464518 0.797385 Cl\n0.963824 0.215439 0.618030 Cl\n0.014369 0.177869 0.071381 Cl\n0.536176 0.215439 0.118030 Cl\n0.705719 0.380861 0.491682 Cl\n0.794281 0.380861 0.991682 Cl\n0.737693 0.019437 0.344226 Cl\n0.485631 0.177869 0.571381 Cl\n0.762307 0.019437 0.844226 Cl\n0.514369 0.822131 0.428619 Cl\n0.985631 0.822131 0.928619 Cl\n0.463824 0.784561 0.881970 Cl\n0.036176 0.784561 0.381970 Cl\n0.868153 0.606948 0.676259 Cl\n0.906410 0.464518 0.297385 Cl\n0.131847 0.393052 0.323741 Cl\n0.262307 0.980563 0.655774 Cl\n0.237693 0.980563 0.155774 Cl\n0.205719 0.619139 0.008318 Cl\n0.368153 0.393052 0.823741 Cl\n0.631847 0.606948 0.176259 Cl\n0.294281 0.619139 0.508318 Cl\n0.406410 0.535482 0.202615 Cl\n0.546713 0.279525 0.335288 O\n0.046713 0.720475 0.164712 O\n0.953287 0.279525 0.835288 O\n0.322840 0.086732 0.414772 O\n0.453287 0.720475 0.664712 O\n0.822840 0.913268 0.085228 O\n0.177160 0.086732 0.914772 O\n0.677160 0.913268 0.585228 O\n",
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"formula_full": "Mo4 P4 Cl24 O8",
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{
"id": "mp-777374",
"created_at": "2022-09-04T14:46:42.655544Z",
"structure_string": "Li32 Ti13 Cr3 O48\n1.0\n-5.081235 0.000000 0.000000\n-0.005193 -8.829199 0.000000\n1.595274 2.852911 19.327517\nLi Ti Cr O\n32 13 3 48\ndirect\n0.990916 0.168645 0.249848 Li\n0.875400 0.377000 0.375134 Li\n0.751388 0.250135 0.000130 Li\n0.742901 0.921069 0.000396 Li\n0.988868 0.168815 0.749254 Li\n0.759527 0.580884 0.499043 Li\n0.874016 0.375771 0.875148 Li\n0.754596 0.248954 0.500045 Li\n0.741143 0.918945 0.499689 Li\n0.624927 0.124994 0.125005 Li\n0.754221 0.578471 0.999208 Li\n0.509070 0.330617 0.249946 Li\n0.626462 0.125398 0.624857 Li\n0.498738 0.999925 0.249780 Li\n0.495435 0.669816 0.250250 Li\n0.506379 0.332489 0.750619 Li\n0.376236 0.874520 0.374847 Li\n0.501023 0.999479 0.750674 Li\n0.251020 0.749186 0.999460 Li\n0.488854 0.668711 0.750745 Li\n0.243545 0.420810 0.999744 Li\n0.374511 0.873403 0.874849 Li\n0.258534 0.081408 0.500501 Li\n0.245734 0.750051 0.499879 Li\n0.124941 0.624999 0.124998 Li\n0.240721 0.419674 0.500665 Li\n0.007368 0.830523 0.250575 Li\n0.257339 0.079745 0.999734 Li\n0.125894 0.623558 0.625151 Li\n0.997344 0.500849 0.250407 Li\n0.009963 0.831692 0.749840 Li\n0.005942 0.498876 0.749622 Li\n0.872967 0.039241 0.373667 Ti\n0.872788 0.707184 0.873419 Ti\n0.879661 0.041031 0.874497 Ti\n0.626352 0.790897 0.124969 Ti\n0.623988 0.458852 0.125008 Ti\n0.622055 0.791093 0.625163 Ti\n0.626803 0.459166 0.626677 Ti\n0.376141 0.541458 0.375998 Ti\n0.372616 0.208582 0.375450 Ti\n0.379195 0.211275 0.876818 Ti\n0.124020 0.958466 0.124990 Ti\n0.126449 0.291380 0.125070 Ti\n0.118280 0.959651 0.623305 Ti\n0.877484 0.709823 0.375093 Cr\n0.371876 0.540708 0.875118 Cr\n0.131057 0.290273 0.624834 Cr\n0.962328 0.106423 0.068361 O\n0.928623 0.784446 0.068089 O\n0.928079 0.427433 0.067218 O\n0.959942 0.105064 0.567996 O\n0.821232 0.965368 0.181749 O\n0.822002 0.322556 0.182992 O\n0.929669 0.785283 0.568269 O\n0.930664 0.425063 0.568245 O\n0.787732 0.643437 0.181555 O\n0.709850 0.857244 0.318429 O\n0.821431 0.965858 0.681840 O\n0.826068 0.320328 0.681820 O\n0.680766 0.537127 0.319085 O\n0.678082 0.176514 0.317107 O\n0.786464 0.643172 0.682083 O\n0.712779 0.855885 0.818059 O\n0.462362 0.606364 0.068363 O\n0.576799 0.716635 0.430574 O\n0.572193 0.072377 0.433013 O\n0.674878 0.533069 0.818964 O\n0.677119 0.177658 0.816935 O\n0.428039 0.927296 0.067013 O\n0.428918 0.284571 0.068342 O\n0.536298 0.393824 0.432081 O\n0.465596 0.605940 0.568113 O\n0.567131 0.712095 0.930617 O\n0.571050 0.073472 0.932830 O\n0.322066 0.822426 0.182813 O\n0.321344 0.465673 0.181948 O\n0.428215 0.927633 0.567009 O\n0.419968 0.283126 0.568939 O\n0.540311 0.393264 0.931820 O\n0.287544 0.143402 0.181621 O\n0.214863 0.357326 0.318241 O\n0.323075 0.824204 0.682913 O\n0.324578 0.466340 0.681863 O\n0.168640 0.679371 0.318118 O\n0.179083 0.034075 0.318278 O\n0.285039 0.149015 0.681146 O\n0.213913 0.362808 0.819485 O\n0.074684 0.571589 0.432997 O\n0.071489 0.214091 0.431583 O\n0.176096 0.678366 0.817020 O\n0.177701 0.036302 0.817976 O\n0.036566 0.888511 0.430937 O\n0.078821 0.570729 0.932225 O\n0.070834 0.215778 0.931620 O\n0.034390 0.892979 0.931585 O\n",
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{
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"structure_string": "Lu2 Cu2 B10 O20\n1.0\n-3.139558 4.276241 6.319740\n3.139558 -4.276241 6.319740\n3.139558 4.276241 -6.319740\nLu Cu B O\n2 2 10 20\ndirect\n0.250000 0.750000 0.500000 Lu\n0.750000 0.250000 0.500000 Lu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.092885 0.783594 0.076301 B\n0.250000 0.250000 0.000000 B\n0.750000 0.750000 0.000000 B\n0.292707 0.983415 0.076301 B\n0.907115 0.216406 0.923699 B\n0.707293 0.016585 0.923699 B\n0.592885 0.516585 0.309291 B\n0.207293 0.283594 0.690709 B\n0.407115 0.483415 0.690709 B\n0.792707 0.716406 0.309291 B\n0.458386 0.051962 0.282609 O\n0.269353 0.551962 0.593575 O\n0.958386 0.675777 0.406425 O\n0.769353 0.175777 0.717391 O\n0.230647 0.824223 0.282609 O\n0.541614 0.948038 0.717391 O\n0.730647 0.448038 0.406425 O\n0.041614 0.324223 0.593575 O\n0.908033 0.663139 0.944035 O\n0.719104 0.963998 0.055965 O\n0.408033 0.463998 0.244894 O\n0.219104 0.163139 0.755106 O\n0.372325 0.352472 0.724796 O\n0.627675 0.647528 0.275204 O\n0.872325 0.147528 0.019853 O\n0.127675 0.852472 0.980147 O\n0.591967 0.536002 0.755106 O\n0.780896 0.836861 0.244894 O\n0.091967 0.336861 0.055965 O\n0.280896 0.036002 0.944035 O\n",
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{
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{
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{
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