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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=69",
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"results": [
{
"id": "mp-1235481",
"created_at": "2022-09-04T14:43:53.020931Z",
"structure_string": "Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.734540 -0.041134 0.154134\n-0.043512 5.883413 -0.010977\n0.238630 -0.018770 8.345241\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.649627 0.417025 0.417886 Li\n0.503931 0.430080 0.766949 La\n0.022239 0.063801 0.261532 La\n0.041563 0.509862 0.519727 Co\n0.492036 0.006134 0.999590 Co\n0.978841 0.499622 0.004235 Sb\n0.501793 0.979067 0.509543 Sb\n0.448237 0.599930 0.197968 Pb\n0.983423 0.965143 0.759677 Pb\n0.609020 0.984510 0.276128 O\n0.093687 0.521255 0.766116 O\n0.413528 0.020954 0.742875 O\n0.913409 0.460106 0.249572 O\n0.203776 0.809730 0.457632 O\n0.694190 0.684157 0.961012 O\n0.786881 0.196220 0.545021 O\n0.263874 0.307489 0.032441 O\n0.320655 0.277436 0.467543 O\n0.787029 0.225504 0.956517 O\n0.678628 0.689210 0.554683 O\n0.161252 0.790264 0.053353 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Li",
"La",
"Co",
"Sb",
"Pb",
"O"
],
"chemical_system": "Co-La-Li-O-Pb-Sb",
"density": 7.393145570826879,
"density_atomic": 0.07464675383705612,
"volume": 281.32502648193105,
"volume_molar": 8.067518613261507,
"formula_full": "Li1 La2 Co2 Sb2 Pb2 O12",
"formula_reduced": "LiLa2Co2Sb2(PbO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -144.60197169,
"energy_per_atom": -6.885808175714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.08197169,
"band_gap": 0.0784000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9872261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.727000Z",
"spacegroup": 1
},
{
"id": "mp-1176546",
"created_at": "2022-09-04T14:43:12.356999Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.792468 0.000000 0.000000\n-0.155899 8.877822 0.000000\n-0.033650 -0.155700 10.287597\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.234749 0.918061 0.878773 Na\n0.247144 0.915548 0.379022 Na\n0.501607 0.747377 0.626596 Na\n0.999228 0.743465 0.125543 Na\n0.500449 0.742583 0.124322 Na\n0.501306 0.252938 0.873753 Na\n0.503275 0.255235 0.377582 Na\n0.997172 0.254073 0.375407 Na\n0.036988 0.719320 0.609414 Li\n0.970295 0.275266 0.888323 Li\n0.777875 0.088022 0.630422 Li\n0.755482 0.099686 0.122638 Li\n0.749975 0.640036 0.883340 Mn\n0.754537 0.635479 0.394433 Mn\n0.247497 0.353653 0.616852 Mn\n0.244385 0.358725 0.107051 Mn\n0.238483 0.586698 0.850086 P\n0.251954 0.585693 0.358802 P\n0.758628 0.406503 0.650905 P\n0.747207 0.407723 0.142625 P\n0.759956 0.957593 0.867449 C\n0.750681 0.948269 0.362916 C\n0.239817 0.051116 0.632256 C\n0.248531 0.059822 0.132793 C\n0.223973 0.905907 0.640771 O\n0.254578 0.915321 0.144301 O\n0.753829 0.923732 0.990049 O\n0.748660 0.921065 0.486617 O\n0.747303 0.851983 0.778489 O\n0.758591 0.836943 0.278723 O\n0.065218 0.682469 0.901122 O\n0.431600 0.672030 0.890281 O\n0.073269 0.678719 0.408376 O\n0.439284 0.679515 0.398179 O\n0.227721 0.575914 0.697950 O\n0.769974 0.569960 0.596430 O\n0.242168 0.569853 0.207187 O\n0.747240 0.566474 0.082539 O\n0.230166 0.422878 0.902520 O\n0.772228 0.421053 0.802466 O\n0.252745 0.426372 0.416610 O\n0.757677 0.427362 0.293554 O\n0.564783 0.322038 0.612269 O\n0.927513 0.305014 0.600764 O\n0.560962 0.312297 0.104583 O\n0.922995 0.310128 0.094387 O\n0.249572 0.135815 0.736216 O\n0.242163 0.146774 0.235743 O\n0.246341 0.115535 0.519423 O\n0.247953 0.121027 0.019023 O\n0.778725 0.096567 0.830642 O\n0.745547 0.084373 0.319482 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8141721603874315,
"density_atomic": 0.08382148801185732,
"volume": 620.3659853025291,
"volume_molar": 7.184483242707541,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.66167788,
"energy_per_atom": -7.224263036153847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.75367788,
"band_gap": 3.428,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.003824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.721000Z",
"spacegroup": 1
},
{
"id": "mp-757109",
"created_at": "2022-09-04T14:43:12.316157Z",
"structure_string": "Li12 V2 Co2 P4 C4 O28\n1.0\n0.472421 4.979416 6.541002\n-0.471750 -4.980028 6.541584\n8.496609 0.136182 0.000428\nLi V Co P C O\n12 2 2 4 4 28\ndirect\n0.521947 0.728154 0.105846 Li\n0.021824 0.228081 0.105814 Li\n0.477195 0.272848 0.896210 Li\n0.977156 0.772871 0.896203 Li\n0.145103 0.877153 0.277837 Li\n0.645086 0.377190 0.277887 Li\n0.372845 0.104936 0.277901 Li\n0.872801 0.604922 0.277912 Li\n0.626195 0.892301 0.723715 Li\n0.126282 0.392405 0.723597 Li\n0.857720 0.123617 0.723639 Li\n0.357731 0.623384 0.723441 Li\n0.770684 0.979314 0.327173 V\n0.270563 0.479473 0.327184 V\n0.730808 0.519172 0.670305 Co\n0.230817 0.019157 0.670333 Co\n0.492141 0.757823 0.412483 P\n0.992122 0.257874 0.412459 P\n0.509626 0.240328 0.590309 P\n0.009660 0.740370 0.590312 P\n0.710680 0.039321 0.036264 C\n0.210707 0.539351 0.036236 C\n0.286064 0.964029 0.960203 C\n0.786000 0.463978 0.960203 C\n0.835007 0.914975 0.066665 O\n0.335015 0.414979 0.066636 O\n0.321506 0.928577 0.102640 O\n0.821453 0.428525 0.102656 O\n0.618255 0.131742 0.157919 O\n0.118285 0.631804 0.157908 O\n0.459957 0.290047 0.425163 O\n0.960007 0.790077 0.425165 O\n0.334565 0.915376 0.435908 O\n0.834576 0.415435 0.435965 O\n0.666671 0.083189 0.569444 O\n0.166810 0.583300 0.569434 O\n0.544244 0.705606 0.576397 O\n0.044313 0.205633 0.576373 O\n0.377113 0.873402 0.836518 O\n0.876874 0.373156 0.836531 O\n0.678401 0.071628 0.893120 O\n0.178414 0.571675 0.893085 O\n0.161212 0.088456 0.932827 O\n0.661335 0.588592 0.932844 O\n0.453241 0.613482 0.306493 O\n0.953148 0.113556 0.306502 O\n0.636550 0.796774 0.306599 O\n0.136489 0.296866 0.306516 O\n0.549385 0.386855 0.694287 O\n0.049347 0.886936 0.694338 O\n0.362979 0.200691 0.694320 O\n0.863098 0.700607 0.694271 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Li",
"V",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Li-O-P-V",
"density": 2.7729956759669516,
"density_atomic": 0.09408478823191226,
"volume": 552.6929589491526,
"volume_molar": 6.400759222793651,
"formula_full": "Li12 V2 Co2 P4 C4 O28",
"formula_reduced": "Li6VCoP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy": -375.34184926,
"energy_per_atom": -7.218112485769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.42984926,
"band_gap": 0.6558999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0363404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.667000Z",
"spacegroup": 6
},
{
"id": "mp-1204310",
"created_at": "2022-09-04T14:43:19.321326Z",
"structure_string": "Ti2 H60 C20 S10 Cl4 O12\n1.0\n-9.834931 0.000000 0.000000\n-0.010602 -10.722260 0.000000\n1.485825 4.192489 12.140349\nTi H C S Cl O\n2 60 20 10 4 12\ndirect\n0.257423 0.593767 0.684476 Ti\n0.742577 0.406233 0.315524 Ti\n0.916745 0.339787 0.839144 H\n0.083255 0.660213 0.160856 H\n0.085145 0.413400 0.892979 H\n0.914855 0.586600 0.107021 H\n0.937265 0.518443 0.900324 H\n0.062735 0.481557 0.099676 H\n0.773239 0.369343 0.666140 H\n0.226761 0.630657 0.333860 H\n0.793819 0.544882 0.742358 H\n0.206181 0.455118 0.257642 H\n0.826622 0.481385 0.598984 H\n0.173378 0.518615 0.401016 H\n0.648370 0.332955 0.847749 H\n0.351630 0.667045 0.152251 H\n0.628164 0.509184 0.907185 H\n0.371836 0.490816 0.092815 H\n0.512507 0.392316 0.933095 H\n0.487493 0.607684 0.066905 H\n0.295882 0.240879 0.660926 H\n0.704118 0.759121 0.339074 H\n0.449715 0.175537 0.710735 H\n0.550285 0.824463 0.289265 H\n0.330392 0.257625 0.806762 H\n0.669608 0.742375 0.193238 H\n0.405285 0.820177 0.508041 H\n0.594715 0.179823 0.491959 H\n0.567920 0.909663 0.562036 H\n0.432080 0.090337 0.437964 H\n0.562249 0.730668 0.501896 H\n0.437751 0.269332 0.498104 H\n0.722672 0.891105 0.727467 H\n0.277328 0.108895 0.272533 H\n0.688355 0.780482 0.803301 H\n0.311645 0.219518 0.196699 H\n0.714903 0.714245 0.658540 H\n0.285097 0.285755 0.341460 H\n0.375816 0.898052 0.127766 H\n0.624184 0.101948 0.872234 H\n0.490699 0.846075 0.023333 H\n0.509301 0.153925 0.976667 H\n0.380625 0.984648 0.028922 H\n0.619375 0.015352 0.971078 H\n0.022207 0.823651 0.951192 H\n0.977793 0.176349 0.048808 H\n0.115679 0.892129 0.085743 H\n0.884321 0.107871 0.914257 H\n0.131828 0.972012 0.983569 H\n0.868172 0.027988 0.016431 H\n0.894842 0.743748 0.504505 H\n0.105158 0.256252 0.495495 H\n0.887453 0.921006 0.568724 H\n0.112547 0.078994 0.431276 H\n0.024696 0.851929 0.485680 H\n0.975304 0.148071 0.514320 H\n0.068792 0.059650 0.722015 H\n0.931208 0.940350 0.277985 H\n0.216772 0.992225 0.777444 H\n0.783228 0.007775 0.222556 H\n0.200140 0.988346 0.635013 H\n0.799860 0.011654 0.364987 H\n0.983857 0.427312 0.853505 C\n0.016143 0.572688 0.146495 C\n0.830389 0.462045 0.677582 C\n0.169611 0.537955 0.322418 C\n0.575004 0.411180 0.874341 C\n0.424996 0.588820 0.125659 C\n0.374582 0.253231 0.731120 C\n0.625418 0.746769 0.268880 C\n0.509052 0.817214 0.548542 C\n0.490948 0.182786 0.451458 C\n0.675329 0.795849 0.722542 C\n0.324671 0.204151 0.277458 C\n0.391234 0.889085 0.042721 C\n0.608766 0.110915 0.957279 C\n0.116628 0.877501 0.997633 C\n0.883372 0.122499 0.002367 C\n0.955043 0.837247 0.541745 C\n0.044957 0.162753 0.458255 C\n0.145968 0.983842 0.703413 C\n0.854032 0.016158 0.296587 C\n0.258792 0.776782 0.954705 S\n0.741208 0.223218 0.045295 S\n0.004051 0.435366 0.720370 S\n0.995949 0.564634 0.279630 S\n0.496634 0.804549 0.681872 S\n0.503366 0.195451 0.318128 S\n0.467140 0.405012 0.752174 S\n0.532860 0.594988 0.247826 S\n0.055729 0.827226 0.662695 S\n0.944271 0.172774 0.337305 S\n0.257244 0.260042 0.005080 Cl\n0.742756 0.739958 0.994920 Cl\n0.245763 0.879091 0.314070 Cl\n0.754237 0.120909 0.685930 Cl\n0.079711 0.571519 0.745913 O\n0.920289 0.428481 0.254087 O\n0.272720 0.777853 0.837905 O\n0.727280 0.222147 0.162095 O\n0.439198 0.661966 0.656226 O\n0.560802 0.338034 0.343774 O\n0.363499 0.514700 0.792832 O\n0.636501 0.485300 0.207168 O\n0.240391 0.454716 0.576329 O\n0.759609 0.545284 0.423671 O\n0.161993 0.724063 0.614963 O\n0.838007 0.275937 0.385037 O\n",
"nsites": 108,
"nelements": 6,
"elements": [
"Ti",
"H",
"C",
"S",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-O-S-Ti",
"density": 1.3630540282598613,
"density_atomic": 0.08435968170711526,
"volume": 1280.2324263735434,
"volume_molar": 7.138648034386865,
"formula_full": "Ti2 H60 C20 S10 Cl4 O12",
"formula_reduced": "TiH30C10S5(ClO3)2",
"formula_anonymous": "AB2C5D6E10F30",
"energy": -568.64462071,
"energy_per_atom": -5.265227969537038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -557.94462071,
"band_gap": 2.4561,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.96e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.092000Z",
"spacegroup": 2
},
{
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"structure_string": "Si4 B2 P2 H58 C18 N2\n1.0\n5.411542 -7.671492 0.000000\n5.411542 7.671492 0.000000\n0.000000 0.000000 11.598027\nSi B P H C N\n4 2 2 58 18 2\ndirect\n0.215509 0.978211 0.838728 Si\n0.978211 0.215509 0.838728 Si\n0.784491 0.021789 0.338728 Si\n0.021789 0.784491 0.338728 Si\n0.347478 0.347478 0.916704 B\n0.652522 0.652522 0.416704 B\n0.162914 0.162914 0.936960 P\n0.837086 0.837086 0.436960 P\n0.379585 0.827761 0.884512 H\n0.827761 0.379585 0.884512 H\n0.620415 0.172239 0.384512 H\n0.172239 0.620415 0.384512 H\n0.300036 0.873114 0.013523 H\n0.873114 0.300036 0.013523 H\n0.699964 0.126886 0.513523 H\n0.126886 0.699964 0.513523 H\n0.457150 0.011161 0.946265 H\n0.011161 0.457150 0.946265 H\n0.542850 0.988839 0.446265 H\n0.988839 0.542850 0.446265 H\n0.968335 0.824214 0.750506 H\n0.824214 0.968335 0.750506 H\n0.031665 0.175786 0.250506 H\n0.175786 0.031665 0.250506 H\n0.979249 0.767058 0.896454 H\n0.767058 0.979249 0.896454 H\n0.020751 0.232942 0.396454 H\n0.232942 0.020751 0.396454 H\n0.081716 0.712312 0.785634 H\n0.712312 0.081716 0.785634 H\n0.918284 0.287688 0.285634 H\n0.287688 0.918284 0.285634 H\n0.333067 0.936182 0.654053 H\n0.936182 0.333067 0.654053 H\n0.666933 0.063818 0.154053 H\n0.063818 0.666933 0.154053 H\n0.407916 0.129215 0.696690 H\n0.129215 0.407916 0.696690 H\n0.592084 0.870785 0.196690 H\n0.870785 0.592084 0.196690 H\n0.224527 0.056804 0.632680 H\n0.056804 0.224527 0.632680 H\n0.775473 0.943196 0.132680 H\n0.943196 0.775473 0.132680 H\n0.523111 0.639930 0.965825 H\n0.639930 0.523111 0.965825 H\n0.476889 0.360070 0.465825 H\n0.360070 0.476889 0.465825 H\n0.609486 0.609486 0.097406 H\n0.390514 0.390514 0.597406 H\n0.216567 0.379229 0.132180 H\n0.379229 0.216567 0.132180 H\n0.783433 0.620771 0.632180 H\n0.620771 0.783433 0.632180 H\n0.286551 0.559778 0.062089 H\n0.559778 0.286551 0.062089 H\n0.713449 0.440222 0.562089 H\n0.440222 0.713449 0.562089 H\n0.376061 0.527113 0.191419 H\n0.527113 0.376061 0.191419 H\n0.623939 0.472887 0.691419 H\n0.472887 0.623939 0.691419 H\n0.449433 0.316611 0.869261 H\n0.316611 0.449433 0.869261 H\n0.550567 0.683389 0.369261 H\n0.683389 0.550567 0.369261 H\n0.351392 0.917742 0.930125 C\n0.917742 0.351392 0.930125 C\n0.648608 0.082258 0.430125 C\n0.082258 0.648608 0.430125 C\n0.043510 0.804581 0.816509 C\n0.804581 0.043510 0.816509 C\n0.956490 0.195419 0.316509 C\n0.195419 0.956490 0.316509 C\n0.303957 0.030757 0.691668 C\n0.030757 0.303957 0.691668 C\n0.696043 0.969243 0.191668 C\n0.969243 0.696043 0.191668 C\n0.558358 0.558358 0.015535 C\n0.441642 0.441642 0.515535 C\n0.317805 0.475746 0.111513 C\n0.475746 0.317805 0.111513 C\n0.682195 0.524254 0.611513 C\n0.524254 0.682195 0.611513 C\n0.423014 0.423014 0.040854 N\n0.576986 0.576986 0.540854 N\n",
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"formula_full": "Si4 B2 P2 H58 C18 N2",
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"updated_at": "2021-11-28T01:36:35.248000Z",
"spacegroup": 36
},
{
"id": "mp-772519",
"created_at": "2022-09-04T14:44:07.473485Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.664613 0.000000 0.000000\n-0.116647 8.720462 0.000000\n-0.042878 -0.144867 10.071871\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.248118 0.916933 0.878715 Na\n0.245329 0.916852 0.379749 Na\n0.501040 0.745829 0.123493 Na\n0.500350 0.254204 0.376872 Na\n0.013208 0.735599 0.618027 Li\n0.487973 0.736197 0.619223 Li\n0.011218 0.734553 0.118915 Li\n0.511431 0.263068 0.880857 Li\n0.987348 0.263389 0.881900 Li\n0.989267 0.264534 0.381242 Li\n0.752905 0.082603 0.623885 Li\n0.758394 0.085328 0.120712 Li\n0.752734 0.640953 0.885810 Mn\n0.749587 0.639838 0.391363 Mn\n0.247166 0.357369 0.614316 Mn\n0.249808 0.358906 0.109004 Mn\n0.249876 0.588898 0.848231 P\n0.241172 0.588947 0.353093 P\n0.750034 0.405574 0.652104 P\n0.758097 0.405312 0.147278 P\n0.751047 0.955939 0.866012 C\n0.759059 0.952659 0.367146 C\n0.248800 0.051584 0.633621 C\n0.240633 0.054708 0.132110 C\n0.250920 0.902040 0.641331 O\n0.228390 0.905885 0.141158 O\n0.752317 0.903229 0.986685 O\n0.750104 0.901177 0.487991 O\n0.752062 0.860504 0.764914 O\n0.753912 0.856169 0.266650 O\n0.067188 0.679352 0.901547 O\n0.438625 0.679508 0.896778 O\n0.062866 0.685075 0.405833 O\n0.434008 0.677558 0.400261 O\n0.246014 0.587417 0.692560 O\n0.750903 0.575466 0.603083 O\n0.234424 0.582854 0.197700 O\n0.765951 0.572334 0.094916 O\n0.249276 0.419620 0.895431 O\n0.754152 0.412406 0.807625 O\n0.233806 0.422427 0.403493 O\n0.765519 0.416776 0.302353 O\n0.562692 0.313296 0.604639 O\n0.930708 0.312299 0.599890 O\n0.566606 0.315163 0.101039 O\n0.933891 0.305780 0.095815 O\n0.248164 0.137245 0.740157 O\n0.244994 0.140625 0.238540 O\n0.247075 0.116960 0.518757 O\n0.249847 0.118945 0.017058 O\n0.749043 0.102252 0.845328 O\n0.771945 0.097858 0.344788 O\n",
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"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
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},
{
"id": "mp-1197055",
"created_at": "2022-09-04T14:44:10.507878Z",
"structure_string": "Cd2 H24 C8 I4 N8 O8\n1.0\n-6.706362 0.000000 -4.329453\n6.706362 0.000000 -4.329453\n0.000000 -14.048134 4.329453\nCd H C I N O\n2 24 8 4 8 8\ndirect\n0.806708 0.306708 0.500000 Cd\n0.556708 0.556708 0.000000 Cd\n0.482490 0.996011 0.735211 H\n0.260800 0.747278 0.264789 H\n0.246011 0.232490 0.235211 H\n0.997278 0.010800 0.764789 H\n0.702268 0.062790 0.810871 H\n0.251919 0.891397 0.189129 H\n0.312790 0.452268 0.310871 H\n0.141397 0.001919 0.689129 H\n0.386265 0.628045 0.515249 H\n0.112796 0.871016 0.484751 H\n0.878045 0.136265 0.015249 H\n0.121016 0.862796 0.984751 H\n0.532514 0.800348 0.464645 H\n0.335703 0.067869 0.535355 H\n0.050348 0.282514 0.964645 H\n0.317869 0.085703 0.035355 H\n0.868172 0.211321 0.708081 H\n0.503239 0.160091 0.291919 H\n0.461321 0.618172 0.208081 H\n0.410091 0.253239 0.791919 H\n0.735182 0.665151 0.453172 H\n0.211979 0.282010 0.546828 H\n0.915151 0.485182 0.953172 H\n0.532010 0.961979 0.046828 H\n0.711539 0.146526 0.686091 C\n0.460435 0.025448 0.313909 C\n0.396526 0.461539 0.186091 C\n0.275448 0.210435 0.813909 C\n0.612561 0.592346 0.482123 C\n0.110223 0.130439 0.517877 C\n0.842346 0.362561 0.982123 C\n0.380439 0.860223 0.017877 C\n0.114608 0.583092 0.653731 I\n0.929361 0.460877 0.346269 I\n0.833092 0.864608 0.153731 I\n0.710877 0.679361 0.846269 I\n0.626156 0.071724 0.751030 N\n0.320694 0.875127 0.248970 N\n0.321724 0.376156 0.251030 N\n0.125127 0.070694 0.748970 N\n0.498077 0.676149 0.484832 N\n0.191317 0.013245 0.515168 N\n0.926149 0.248077 0.984832 N\n0.263245 0.941317 0.015168 N\n0.626181 0.146754 0.607189 O\n0.539565 0.018992 0.392811 O\n0.396754 0.376181 0.107189 O\n0.268992 0.289565 0.892811 O\n0.584110 0.442258 0.507170 O\n0.935088 0.076939 0.492830 O\n0.692258 0.334110 0.007170 O\n0.326939 0.685088 0.992830 O\n",
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],
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"formula_full": "Cd2 H24 C8 I4 N8 O8",
"formula_reduced": "CdH12C4I2(NO)4",
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}
]
}