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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=356",
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"results": [
{
"id": "oqmd-61615",
"created_at": "2022-09-04T15:33:39.623897Z",
"updated_at": "2022-09-04T15:33:39.623914Z",
"structure_string": "H6 Ru6 Rh2 C24 O24\n1.0\n8.095276 -0.008828 -0.013561\n3.230979 8.346966 -0.002630\n2.275716 0.970118 13.068991\nC H O Rh Ru\n24 6 24 2 6\ndirect\n0.651894 0.793024 0.033999 C\n0.013964 0.653580 0.085897 C\n0.809418 0.998092 0.110439 C\n0.589622 0.509858 0.159168 C\n0.331164 0.903034 0.183913 C\n0.928768 0.388972 0.217138 C\n0.469182 0.101111 0.260932 C\n0.085025 0.639079 0.302383 C\n0.876641 0.959055 0.323823 C\n0.619659 0.413054 0.366918 C\n0.296468 0.910966 0.395518 C\n0.854054 0.722379 0.486100 C\n0.145949 0.277622 0.513902 C\n0.703531 0.089038 0.604481 C\n0.380348 0.586936 0.633082 C\n0.123357 0.040947 0.676175 C\n0.914977 0.360920 0.697617 C\n0.530821 0.898889 0.739067 C\n0.071234 0.611028 0.782862 C\n0.668838 0.096965 0.816086 C\n0.410377 0.490145 0.840832 C\n0.190581 0.001907 0.889558 C\n0.986036 0.346423 0.914103 C\n0.348105 0.206978 0.965998 C\n0.493106 0.679804 0.315537 H\n0.796771 0.574615 0.369342 H\n0.609512 0.855600 0.387473 H\n0.390490 0.144401 0.612524 H\n0.203231 0.425387 0.630657 H\n0.506897 0.320196 0.684461 H\n0.422769 0.200416 0.034396 O\n0.148989 0.571113 0.046336 O\n0.829128 0.120648 0.088622 O\n0.514049 0.487763 0.099745 O\n0.232952 0.914528 0.126825 O\n0.064722 0.293107 0.190308 O\n0.460455 0.233810 0.250682 O\n0.234605 0.564641 0.281152 O\n0.898721 0.081291 0.313903 O\n0.132219 0.301568 0.427330 O\n0.559002 0.340488 0.431562 O\n0.181082 0.925816 0.462411 O\n0.818926 0.074173 0.537593 O\n0.441003 0.659509 0.568440 O\n0.867776 0.698433 0.572670 O\n0.101275 0.918710 0.686094 O\n0.765394 0.435361 0.718848 O\n0.539542 0.766189 0.749319 O\n0.935276 0.706894 0.809694 O\n0.767048 0.085473 0.873177 O\n0.485947 0.512241 0.900257 O\n0.170865 0.879353 0.911382 O\n0.851009 0.428883 0.953669 O\n0.577229 0.799585 0.965603 O\n0.783486 0.791459 0.140642 Rh\n0.216513 0.208542 0.859357 Rh\n0.704813 0.545380 0.262897 Ru\n0.482519 0.882417 0.283575 Ru\n0.840936 0.758143 0.342874 Ru\n0.159066 0.241857 0.657127 Ru\n0.517481 0.117584 0.716423 Ru\n0.295187 0.454619 0.737103 Ru\n",
"nsites": 62,
"nelements": 5,
"elements": [
"C",
"H",
"O",
"Rh",
"Ru"
],
"chemical_system": "C-H-O-Rh-Ru",
"density": 2.800822975179207,
"density_atomic": 0.07016009064752295,
"volume": 883.69327102899,
"volume_molar": 8.58342784967969,
"formula_full": "H6 Ru6 Rh2 C24 O24",
"formula_reduced": "H3Ru3Rh(CO)12",
"formula_anonymous": "AB3C3D12E12",
"formation_energy": -0.727754511519277,
"spacegroup": 2
},
{
"id": "oqmd-643280",
"created_at": "2022-09-04T15:33:39.354242Z",
"updated_at": "2022-09-04T15:33:39.354268Z",
"structure_string": "Li2 Ca4 Mn4 Si10 H2 O30\n1.0\n7.624874 0.009727 0.023821\n-3.197223 11.228732 -0.023467\n-0.508087 -0.390154 6.730662\nCa H Li Mn O Si\n4 2 2 4 30 10\ndirect\n0.808187 0.940174 0.140276 Ca\n0.233251 0.522735 0.288805 Ca\n0.766749 0.477265 0.711197 Ca\n0.191814 0.059828 0.859726 Ca\n0.916639 0.114410 0.480752 H\n0.083362 0.885590 0.519250 H\n0.647989 0.118773 0.331452 Li\n0.352014 0.881227 0.668549 Li\n0.594705 0.644974 0.058892 Mn\n0.044262 0.235507 0.178339 Mn\n0.955738 0.764493 0.821658 Mn\n0.405297 0.355025 0.941111 Mn\n0.677073 0.474907 0.032397 O\n0.526335 0.808798 0.061658 O\n0.770289 0.130225 0.089784 O\n0.876695 0.758419 0.126369 O\n0.965943 0.391397 0.152313 O\n0.120567 0.063823 0.189196 O\n0.212933 0.742358 0.241995 O\n0.408086 0.972714 0.248489 O\n0.325214 0.348029 0.251767 O\n0.929481 0.575639 0.344404 O\n0.543546 0.619743 0.359494 O\n0.684683 0.372604 0.379889 O\n0.439783 0.175296 0.420511 O\n0.792276 0.013672 0.453116 O\n0.004430 0.208622 0.490050 O\n0.995570 0.791379 0.509951 O\n0.207722 0.986329 0.546883 O\n0.560218 0.824704 0.579491 O\n0.315319 0.627396 0.620112 O\n0.456451 0.380255 0.640505 O\n0.070520 0.424361 0.655597 O\n0.674787 0.651971 0.748233 O\n0.591915 0.027287 0.751512 O\n0.787067 0.257641 0.758002 O\n0.879432 0.936177 0.810803 O\n0.034058 0.608603 0.847688 O\n0.123307 0.241581 0.873632 O\n0.229710 0.869775 0.910216 O\n0.473667 0.191203 0.938342 O\n0.322926 0.525092 0.967603 O\n0.345112 0.844947 0.107227 Si\n0.808954 0.449304 0.212813 Si\n0.998195 0.718220 0.300618 Si\n0.280554 0.050669 0.349027 Si\n0.463816 0.321229 0.425019 Si\n0.536184 0.678771 0.574983 Si\n0.719446 0.949332 0.650975 Si\n0.001807 0.281782 0.699383 Si\n0.191047 0.550697 0.787189 Si\n0.654890 0.155051 0.892774 Si\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Ca",
"H",
"Li",
"Mn",
"O",
"Si"
],
"chemical_system": "Ca-H-Li-Mn-O-Si",
"density": 3.3316231716983564,
"density_atomic": 0.09018871373575381,
"volume": 576.5688171621575,
"volume_molar": 6.677266489956186,
"formula_full": "Li2 Ca4 Mn4 Si10 H2 O30",
"formula_reduced": "LiCa2Mn2Si5HO15",
"formula_anonymous": "ABC2D2E5F15",
"formation_energy": -2.87468381922266,
"spacegroup": 2
},
{
"id": "oqmd-101160",
"created_at": "2022-09-04T15:33:39.457857Z",
"updated_at": "2022-09-04T15:33:39.457881Z",
"structure_string": "Al2 H28 Se2 N2 O28\n1.0\n5.871739 0.012980 -0.025231\n-0.839938 7.632115 -0.034694\n-2.557735 -0.459383 11.684153\nAl H N O Se\n2 28 2 28 2\ndirect\n0.591262 0.252178 0.217432 Al\n0.408738 0.747821 0.782568 Al\n0.345840 0.190474 0.016483 H\n0.842855 0.262948 0.069031 H\n0.362638 0.000375 0.076912 H\n0.596967 0.553902 0.126312 H\n0.364920 0.515626 0.181187 H\n0.976390 0.390729 0.182189 H\n0.215985 0.105057 0.254955 H\n0.815584 0.986890 0.256829 H\n0.298926 0.269697 0.349656 H\n0.669773 0.998768 0.355079 H\n0.718286 0.502976 0.356898 H\n0.174231 0.656619 0.382601 H\n0.192658 0.854117 0.425335 H\n0.784972 0.330042 0.429313 H\n0.215028 0.669959 0.570687 H\n0.807343 0.145883 0.574666 H\n0.825768 0.343381 0.617399 H\n0.281713 0.497024 0.643103 H\n0.330226 0.001232 0.644921 H\n0.701073 0.730304 0.650344 H\n0.184417 0.013110 0.743171 H\n0.784014 0.894943 0.745045 H\n0.023609 0.609271 0.817812 H\n0.635081 0.484375 0.818812 H\n0.403035 0.446096 0.873688 H\n0.637361 0.999624 0.923087 H\n0.157148 0.737053 0.930968 H\n0.654162 0.809525 0.983518 H\n0.692587 0.751143 0.459113 N\n0.307413 0.248857 0.540887 N\n0.222839 0.803919 0.063231 O\n0.775237 0.691478 0.079747 O\n0.435822 0.124868 0.080399 O\n0.487031 0.460511 0.150610 O\n0.858683 0.287222 0.153207 O\n0.143496 0.580390 0.229096 O\n0.057585 0.920738 0.243736 O\n0.316404 0.220033 0.272831 O\n0.679999 0.039541 0.276989 O\n0.759361 0.379585 0.349424 O\n0.652282 0.696843 0.355656 O\n0.183920 0.733802 0.450278 O\n0.278598 0.356438 0.462147 O\n0.703234 0.914299 0.482334 O\n0.296765 0.085700 0.517666 O\n0.721401 0.643562 0.537852 O\n0.816080 0.266198 0.549721 O\n0.347719 0.303157 0.644344 O\n0.240638 0.620417 0.650576 O\n0.320002 0.960459 0.723011 O\n0.683598 0.779966 0.727169 O\n0.942416 0.079261 0.756264 O\n0.856503 0.419609 0.770904 O\n0.141316 0.712777 0.846794 O\n0.512970 0.539490 0.849391 O\n0.564177 0.875132 0.919601 O\n0.224762 0.308523 0.920253 O\n0.777162 0.196080 0.936769 O\n0.048919 0.750746 0.153457 Se\n0.951079 0.249252 0.846544 Se\n",
"nsites": 62,
"nelements": 5,
"elements": [
"Al",
"H",
"N",
"O",
"Se"
],
"chemical_system": "Al-H-N-O-Se",
"density": 2.273017984125613,
"density_atomic": 0.11851425175987089,
"volume": 523.1438335840154,
"volume_molar": 5.081364199304769,
"formula_full": "Al2 H28 Se2 N2 O28",
"formula_reduced": "AlH14SeNO14",
"formula_anonymous": "ABCD14E14",
"formation_energy": -1.26085566929757,
"spacegroup": 2
},
{
"id": "oqmd-653321",
"created_at": "2022-09-04T15:33:40.148757Z",
"updated_at": "2022-09-04T15:33:40.148781Z",
"structure_string": "Zn2 Co2 P4 H24 O22\n1.0\n7.295229 -0.012059 -0.044240\n0.368157 7.395956 -0.006063\n0.087022 0.220166 9.292376\nCo H O P Zn\n2 24 22 4 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.500000 0.499999 Co\n0.588661 0.318524 0.027162 H\n0.752273 0.763031 0.064858 H\n0.649066 0.946036 0.111309 H\n0.366141 0.025460 0.201836 H\n0.604433 0.595377 0.237858 H\n0.388214 0.599431 0.246782 H\n0.044616 0.089832 0.257589 H\n0.046005 0.876657 0.268755 H\n0.485524 0.881494 0.289019 H\n0.565196 0.172049 0.355958 H\n0.755008 0.254077 0.404175 H\n0.222392 0.095774 0.491850 H\n0.777607 0.904227 0.508149 H\n0.244992 0.745923 0.595826 H\n0.434804 0.827952 0.644042 H\n0.514476 0.118505 0.710982 H\n0.953995 0.123346 0.731246 H\n0.955383 0.910167 0.742410 H\n0.611786 0.400565 0.753218 H\n0.395567 0.404623 0.762141 H\n0.633859 0.974540 0.798166 H\n0.350936 0.053962 0.888690 H\n0.247728 0.236969 0.935143 H\n0.411340 0.681478 0.972837 H\n0.734555 0.893037 0.037783 O\n0.914534 0.250117 0.053608 O\n0.772452 0.541176 0.129408 O\n0.228169 0.530642 0.139322 O\n0.097228 0.979129 0.211130 O\n0.489097 0.005877 0.245608 O\n0.499049 0.639911 0.298716 O\n0.960101 0.717156 0.358871 O\n0.981764 0.262420 0.368466 O\n0.621114 0.255703 0.423459 O\n0.251220 0.418581 0.451626 O\n0.748781 0.581420 0.548374 O\n0.378887 0.744298 0.576543 O\n0.018238 0.737578 0.631535 O\n0.039900 0.282845 0.641130 O\n0.500950 0.360090 0.701284 O\n0.510902 0.994122 0.754392 O\n0.902771 0.020869 0.788870 O\n0.771828 0.469359 0.860678 O\n0.227550 0.458826 0.870593 O\n0.085467 0.749884 0.946392 O\n0.265444 0.106962 0.962217 O\n0.763563 0.390468 0.015587 P\n0.127856 0.266498 0.491315 P\n0.872145 0.733502 0.508684 P\n0.236437 0.609533 0.984415 P\n0.003456 0.490241 0.250168 Zn\n0.996544 0.509761 0.749833 Zn\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Co",
"H",
"O",
"P",
"Zn"
],
"chemical_system": "Co-H-O-P-Zn",
"density": 2.479500068970781,
"density_atomic": 0.10768817293413373,
"volume": 501.44782410811723,
"volume_molar": 5.592202556620007,
"formula_full": "Zn2 Co2 P4 H24 O22",
"formula_reduced": "ZnCoP2H12O11",
"formula_anonymous": "ABC2D11E12",
"formation_energy": -1.41157130150859,
"spacegroup": 2
},
{
"id": "oqmd-124148",
"created_at": "2022-09-04T15:33:40.267218Z",
"updated_at": "2022-09-04T15:33:40.267251Z",
"structure_string": "Na4 H32 S2 O24\n1.0\n7.691056 0.024078 0.037878\n0.219258 7.911701 0.017570\n0.569199 0.606154 7.969738\nH Na O S\n32 4 24 2\ndirect\n0.556618 0.667146 0.007537 H\n0.080443 0.341490 0.046402 H\n0.362985 0.876313 0.049338 H\n0.377902 0.596793 0.091605 H\n0.017397 0.667735 0.116735 H\n0.336727 0.057076 0.117738 H\n0.813489 0.306811 0.144330 H\n0.664663 0.924638 0.182444 H\n0.622164 0.249468 0.222537 H\n0.804186 0.916007 0.314617 H\n0.031558 0.094727 0.331716 H\n0.994329 0.480694 0.337404 H\n0.102802 0.906126 0.354085 H\n0.295051 0.694054 0.387049 H\n0.946344 0.655719 0.414894 H\n0.751646 0.240630 0.436820 H\n0.248353 0.759370 0.563180 H\n0.053657 0.344282 0.585108 H\n0.704950 0.305947 0.612951 H\n0.897197 0.093874 0.645915 H\n0.005671 0.519306 0.662598 H\n0.968441 0.905274 0.668283 H\n0.195814 0.083993 0.685382 H\n0.377836 0.750531 0.777462 H\n0.335337 0.075362 0.817557 H\n0.186510 0.693189 0.855669 H\n0.663274 0.942925 0.882261 H\n0.982602 0.332264 0.883264 H\n0.622098 0.403207 0.908394 H\n0.637016 0.123687 0.950663 H\n0.919558 0.658511 0.953598 H\n0.443382 0.332855 0.992464 H\n0.000000 0.000000 0.000000 Na\n0.637283 0.593212 0.314699 Na\n0.500000 0.000000 0.500000 Na\n0.362717 0.406787 0.685300 Na\n0.977193 0.291020 0.004688 O\n0.305363 0.990536 0.025422 O\n0.459468 0.691857 0.091569 O\n0.269078 0.410357 0.117901 O\n0.722555 0.318026 0.240250 O\n0.394563 0.174850 0.282916 O\n0.681557 0.884310 0.300846 O\n0.008903 0.978846 0.301401 O\n0.946754 0.596729 0.310917 O\n0.106746 0.290523 0.370416 O\n0.365262 0.454531 0.393235 O\n0.267581 0.799581 0.441227 O\n0.732420 0.200419 0.558773 O\n0.634737 0.545468 0.606766 O\n0.893254 0.709477 0.629583 O\n0.053246 0.403271 0.689083 O\n0.991097 0.021153 0.698601 O\n0.318441 0.115690 0.699153 O\n0.605435 0.825150 0.717086 O\n0.277443 0.681974 0.759751 O\n0.730923 0.589644 0.882098 O\n0.540532 0.308144 0.908432 O\n0.694638 0.009466 0.974578 O\n0.022806 0.708981 0.995312 O\n0.285677 0.332079 0.294175 S\n0.714323 0.667922 0.705826 S\n",
"nsites": 62,
"nelements": 4,
"elements": [
"H",
"Na",
"O",
"S"
],
"chemical_system": "H-Na-O-S",
"density": 1.9608931389616775,
"density_atomic": 0.12792368197995746,
"volume": 484.66397339715326,
"volume_molar": 4.707604304997666,
"formula_full": "Na4 H32 S2 O24",
"formula_reduced": "Na2H16SO12",
"formula_anonymous": "AB2C12D16",
"formation_energy": -1.36623534326479,
"spacegroup": 2
},
{
"id": "oqmd-93163",
"created_at": "2022-09-04T15:33:41.159057Z",
"updated_at": "2022-09-04T15:33:41.159078Z",
"structure_string": "Na6 H18 C12 O24\n1.0\n8.664021 -0.073674 0.021179\n-3.095039 8.427023 -0.195354\n-3.374229 -0.273407 8.640331\nC H Na O\n12 18 6 24\ndirect\n0.194514 0.638106 0.108127 C\n0.526914 0.129098 0.133351 C\n0.958398 0.036094 0.160710 C\n0.725817 0.571508 0.192036 C\n0.645126 0.785355 0.439940 C\n0.909650 0.260408 0.453368 C\n0.090351 0.739592 0.546633 C\n0.354874 0.214645 0.560060 C\n0.274183 0.428493 0.807965 C\n0.041601 0.963907 0.839290 C\n0.473086 0.870902 0.866649 C\n0.805487 0.361894 0.891873 C\n0.500000 0.499999 0.000000 H\n0.062279 0.800038 0.004832 H\n0.852082 0.405687 0.014589 H\n0.553905 0.208050 0.041366 H\n0.821321 0.967844 0.087040 H\n0.868411 0.643421 0.242248 H\n0.608217 0.978376 0.285072 H\n0.733247 0.783971 0.378627 H\n0.935095 0.156203 0.424700 H\n0.000000 0.500000 0.500000 H\n0.064905 0.843798 0.575299 H\n0.266754 0.216029 0.621372 H\n0.391783 0.021623 0.714928 H\n0.131590 0.356580 0.757753 H\n0.178679 0.032155 0.912959 H\n0.446093 0.791949 0.958634 H\n0.147919 0.594313 0.985411 H\n0.937719 0.199960 0.995166 H\n0.329691 0.338759 0.198866 Na\n0.304605 0.945208 0.347783 Na\n0.308981 0.549941 0.470109 Na\n0.691020 0.450059 0.529890 Na\n0.695395 0.054793 0.652218 Na\n0.670309 0.661241 0.801135 Na\n0.655187 0.584603 0.044597 O\n0.032562 0.171167 0.108270 O\n0.158255 0.760042 0.130020 O\n0.406689 0.122461 0.178633 O\n0.631358 0.047017 0.184613 O\n0.275788 0.568835 0.212718 O\n0.644221 0.487226 0.272312 O\n0.034150 0.985561 0.284073 O\n0.577435 0.895991 0.405632 O\n0.018750 0.396920 0.437259 O\n0.381490 0.317226 0.464088 O\n0.785881 0.244055 0.498479 O\n0.214120 0.755946 0.501520 O\n0.618510 0.682775 0.535912 O\n0.981249 0.603080 0.562740 O\n0.422564 0.104008 0.594368 O\n0.965850 0.014440 0.715928 O\n0.355778 0.512774 0.727686 O\n0.724211 0.431165 0.787283 O\n0.368641 0.952984 0.815387 O\n0.593311 0.877540 0.821367 O\n0.841744 0.239957 0.869979 O\n0.967439 0.828833 0.891731 O\n0.344812 0.415397 0.955403 O\n",
"nsites": 60,
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"elements": [
"C",
"H",
"Na",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 1.8062946841955028,
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"elements": [
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{
"id": "oqmd-1102985",
"created_at": "2022-09-04T15:34:48.943894Z",
"updated_at": "2022-09-04T15:34:48.943918Z",
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}