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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=93",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=91",
"results": [
{
"id": "oqmd-683481",
"created_at": "2022-09-04T15:33:34.201367Z",
"updated_at": "2022-09-04T15:33:34.201395Z",
"structure_string": "Mg16 Si7 H1 O32\n1.0\n8.290119 0.027351 -0.017884\n0.038407 11.645921 0.012706\n-0.012298 0.006281 5.703616\nH Mg O Si\n1 16 32 7\ndirect\n0.374780 0.204790 0.177759 H\n0.506642 0.878244 0.001182 Mg\n0.993581 0.377432 0.003125 Mg\n0.708927 0.504793 0.249458 Mg\n0.753179 0.752658 0.249743 Mg\n0.756092 0.247519 0.251354 Mg\n0.782586 0.998987 0.252661 Mg\n0.506703 0.879118 0.495905 Mg\n0.993068 0.377532 0.500218 Mg\n0.501679 0.119474 0.501663 Mg\n0.993680 0.620458 0.509713 Mg\n0.250197 0.767142 0.750876 Mg\n0.244411 0.247074 0.752881 Mg\n0.305518 0.478314 0.753344 Mg\n0.224267 0.001874 0.753395 Mg\n0.523311 0.114147 0.977285 Mg\n0.994337 0.620548 0.991907 Mg\n0.246833 0.878193 0.010782 O\n0.246540 0.370007 0.012955 O\n0.251103 0.130238 0.026738 O\n0.536775 0.008477 0.246048 O\n0.467871 0.251303 0.246439 O\n0.519024 0.766178 0.249587 O\n0.034635 0.998122 0.249808 O\n0.018417 0.754923 0.250663 O\n0.967028 0.500447 0.251017 O\n0.003754 0.236789 0.253798 O\n0.476461 0.486508 0.255667 O\n0.247259 0.877611 0.490738 O\n0.246214 0.369829 0.494108 O\n0.242268 0.126001 0.497688 O\n0.740728 0.365820 0.505547 O\n0.763552 0.879103 0.509386 O\n0.743479 0.630056 0.510534 O\n0.756601 0.127504 0.512985 O\n0.229976 0.618618 0.614333 O\n0.470225 0.999354 0.745964 O\n0.507042 0.744389 0.749296 O\n0.974073 0.003407 0.750069 O\n0.503803 0.260515 0.750533 O\n0.993703 0.765081 0.751057 O\n0.995162 0.491394 0.751103 O\n0.543225 0.498848 0.752317 O\n0.996952 0.238834 0.752562 O\n0.230928 0.618963 0.890375 O\n0.744114 0.630535 0.989587 O\n0.763582 0.879780 0.990750 O\n0.762805 0.127193 0.990899 O\n0.742134 0.365730 0.995532 O\n0.139508 0.866952 0.250723 Si\n0.356056 0.383540 0.254818 Si\n0.129212 0.126701 0.259013 Si\n0.871571 0.130413 0.749624 Si\n0.632151 0.632942 0.749632 Si\n0.637451 0.368630 0.750544 Si\n0.870501 0.874114 0.750719 Si\n",
"nsites": 56,
"nelements": 4,
"elements": [
"H",
"Mg",
"O",
"Si"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.312520676708849,
"density_atomic": 0.10169753304403642,
"volume": 550.6524919906487,
"volume_molar": 5.921619315379392,
"formula_full": "Mg16 Si7 H1 O32",
"formula_reduced": "Mg16Si7HO32",
"formula_anonymous": "AB7C16D32",
"formation_energy": -2.80260740432091,
"spacegroup": 1
},
{
"id": "oqmd-73562",
"created_at": "2022-09-04T15:33:34.542660Z",
"updated_at": "2022-09-04T15:33:34.542685Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n10.180810 0.011676 0.016353\n0.006835 5.982090 0.003370\n0.015255 0.005359 9.541521\nH Mg O Si\n1 16 32 8\ndirect\n0.588893 0.594711 0.445355 H\n0.999776 0.498698 0.001374 Mg\n0.999422 0.000357 0.001555 Mg\n0.722824 0.748791 0.004758 Mg\n0.219733 0.749385 0.239721 Mg\n0.488006 0.488998 0.241031 Mg\n0.497920 0.000000 0.243204 Mg\n0.776963 0.253355 0.255346 Mg\n0.276513 0.249434 0.497483 Mg\n0.006241 0.000942 0.499027 Mg\n0.002719 0.499386 0.499392 Mg\n0.743015 0.771695 0.516607 Mg\n0.221811 0.749220 0.748412 Mg\n0.498847 0.499569 0.750411 Mg\n0.499661 0.000726 0.752031 Mg\n0.780178 0.247500 0.756554 Mg\n0.275146 0.248752 0.992507 Mg\n0.445098 0.245192 0.104762 O\n0.663947 0.030312 0.111592 O\n0.661692 0.468289 0.112917 O\n0.907250 0.749936 0.116152 O\n0.407077 0.748241 0.134479 O\n0.164241 0.467533 0.136240 O\n0.163677 0.031050 0.136709 O\n0.945851 0.250714 0.140754 O\n0.055095 0.749898 0.359893 O\n0.588366 0.245182 0.363542 O\n0.838259 0.972018 0.364632 O\n0.835583 0.535647 0.365075 O\n0.094599 0.249969 0.384242 O\n0.340405 0.970714 0.384372 O\n0.332212 0.530450 0.386244 O\n0.552759 0.733423 0.396713 O\n0.658192 0.479754 0.599894 O\n0.445272 0.247669 0.612555 O\n0.666241 0.036470 0.614675 O\n0.915421 0.752088 0.618595 O\n0.404827 0.750131 0.636822 O\n0.946455 0.249806 0.638108 O\n0.165273 0.031372 0.638171 O\n0.164426 0.468525 0.638625 O\n0.836761 0.530357 0.861588 O\n0.595172 0.252206 0.862909 O\n0.837286 0.967874 0.863252 O\n0.055663 0.748824 0.864902 O\n0.090790 0.248920 0.884665 O\n0.335593 0.967826 0.887832 O\n0.335965 0.530647 0.887943 O\n0.554241 0.749411 0.888742 O\n0.596187 0.249366 0.033853 Si\n0.095024 0.249838 0.213586 Si\n0.905921 0.751598 0.286611 Si\n0.391092 0.749127 0.468458 Si\n0.592555 0.246769 0.535031 Si\n0.094283 0.249850 0.714097 Si\n0.908638 0.749564 0.789341 Si\n0.405365 0.749184 0.962892 Si\n",
"nsites": 57,
"nelements": 4,
"elements": [
"H",
"Mg",
"O",
"Si"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.2192118742771503,
"density_atomic": 0.09808978688756462,
"volume": 581.1002532336647,
"volume_molar": 6.139416702885569,
"formula_full": "Mg16 Si8 H1 O32",
"formula_reduced": "Mg16Si8HO32",
"formula_anonymous": "AB8C16D32",
"formation_energy": -2.95563218538546,
"spacegroup": 1
},
{
"id": "oqmd-45535",
"created_at": "2022-09-04T15:33:35.377933Z",
"updated_at": "2022-09-04T15:33:35.377954Z",
"structure_string": "Cs16 Hg8 Cl32\n1.0\n7.772282 0.004020 -0.002358\n-0.014227 9.923053 0.005352\n-0.056650 0.029246 27.674243\nCl Cs Hg\n32 16 8\ndirect\n0.751781 0.245692 0.039123 Cl\n0.245665 0.238833 0.040399 Cl\n0.013590 0.876412 0.077306 Cl\n0.438369 0.589448 0.087474 Cl\n0.937989 0.518432 0.161318 Cl\n0.515743 0.225489 0.166795 Cl\n0.265121 0.872852 0.196783 Cl\n0.746692 0.869348 0.203083 Cl\n0.248937 0.357536 0.291533 Cl\n0.733695 0.371964 0.296074 Cl\n0.495329 0.719784 0.330030 Cl\n0.939342 0.016686 0.336222 Cl\n0.432053 0.082506 0.409140 Cl\n0.978603 0.376536 0.417859 Cl\n0.204333 0.723383 0.442604 Cl\n0.710341 0.751594 0.468578 Cl\n0.257288 0.247158 0.528256 Cl\n0.738328 0.246763 0.530085 Cl\n0.972399 0.884034 0.576240 Cl\n0.490737 0.586736 0.579978 Cl\n0.468182 0.230426 0.664519 Cl\n0.990690 0.525436 0.666727 Cl\n0.280641 0.872860 0.688158 Cl\n0.733385 0.881942 0.695867 Cl\n0.212593 0.355642 0.772358 Cl\n0.716160 0.372742 0.807013 Cl\n0.526047 0.732987 0.827451 Cl\n0.026467 0.014588 0.830081 Cl\n0.054187 0.378731 0.915062 Cl\n0.527348 0.088879 0.916192 Cl\n0.244314 0.733627 0.949698 Cl\n0.762615 0.730554 0.956151 Cl\n0.009402 0.538053 0.033323 Cs\n0.508441 0.936346 0.082665 Cs\n0.008002 0.175385 0.176016 Cs\n0.505967 0.565441 0.214144 Cs\n0.506554 0.061542 0.284535 Cs\n0.997041 0.667525 0.329332 Cs\n0.494183 0.428873 0.425356 Cs\n0.001693 0.033084 0.462965 Cs\n0.008700 0.539601 0.533351 Cs\n0.505629 0.934243 0.568749 Cs\n0.005795 0.171188 0.667651 Cs\n0.512422 0.566250 0.710878 Cs\n0.503537 0.065562 0.784564 Cs\n0.000152 0.667679 0.822666 Cs\n0.508540 0.436520 0.922212 Cs\n0.007009 0.036686 0.963123 Cs\n0.501284 0.343723 0.084798 Hg\n0.003581 0.762841 0.159426 Hg\n0.997574 0.262708 0.336739 Hg\n0.483283 0.835444 0.411618 Hg\n0.498323 0.335485 0.582954 Hg\n0.000000 0.775744 0.660195 Hg\n0.001502 0.266000 0.834557 Hg\n0.509198 0.838975 0.912329 Hg\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Cl",
"Cs",
"Hg"
],
"chemical_system": "Cl-Cs-Hg",
"density": 3.7855178548978325,
"density_atomic": 0.026237268012557234,
"volume": 2134.3685620468655,
"volume_molar": 22.952621275651822,
"formula_full": "Cs16 Hg8 Cl32",
"formula_reduced": "Cs2HgCl4",
"formula_anonymous": "AB2C4",
"formation_energy": -1.62633945642039,
"spacegroup": 1
},
{
"id": "oqmd-73568",
"created_at": "2022-09-04T15:33:34.900752Z",
"updated_at": "2022-09-04T15:33:34.900780Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n8.093837 -0.007557 -0.006820\n-0.007554 8.111336 0.027905\n-0.006799 0.027856 8.098883\nH Mg O Si\n1 16 32 8\ndirect\n0.374076 0.547045 0.749598 H\n0.876498 0.374478 0.124049 Mg\n0.625498 0.124200 0.124814 Mg\n0.123368 0.625598 0.127791 Mg\n0.374955 0.876812 0.128167 Mg\n0.377337 0.620887 0.369222 Mg\n0.629241 0.374988 0.372449 Mg\n0.874974 0.124498 0.374367 Mg\n0.124273 0.875093 0.374756 Mg\n0.378118 0.347776 0.605300 Mg\n0.634938 0.621840 0.621866 Mg\n0.872028 0.876113 0.624717 Mg\n0.119839 0.125673 0.625784 Mg\n0.122244 0.376253 0.872646 Mg\n0.624102 0.876598 0.875247 Mg\n0.374049 0.128025 0.876419 Mg\n0.873134 0.626733 0.877685 Mg\n0.381012 0.620709 0.118154 O\n0.620748 0.379646 0.118750 O\n0.879862 0.120611 0.119970 O\n0.119154 0.881248 0.120544 O\n0.130948 0.370702 0.127122 O\n0.369804 0.131388 0.128175 O\n0.629752 0.869871 0.130492 O\n0.869050 0.630278 0.131774 O\n0.371468 0.368442 0.363355 O\n0.131203 0.130356 0.369091 O\n0.630293 0.629352 0.369884 O\n0.869387 0.869464 0.370073 O\n0.883048 0.380476 0.380301 O\n0.618163 0.117542 0.380853 O\n0.124517 0.619943 0.382460 O\n0.379819 0.873212 0.383182 O\n0.125117 0.379677 0.618844 O\n0.378733 0.108556 0.619793 O\n0.884786 0.618992 0.619987 O\n0.619107 0.874860 0.620737 O\n0.628201 0.369162 0.627919 O\n0.867438 0.130807 0.629870 O\n0.125663 0.873884 0.630073 O\n0.364061 0.630715 0.652585 O\n0.868339 0.370660 0.868147 O\n0.627777 0.131757 0.869174 O\n0.381728 0.393096 0.870506 O\n0.125485 0.633858 0.874575 O\n0.366966 0.875877 0.875190 O\n0.620379 0.622009 0.878966 O\n0.118981 0.121316 0.880386 O\n0.879809 0.882204 0.880674 O\n0.998781 0.001427 0.001058 Si\n0.503959 0.503250 0.002776 Si\n0.248764 0.248931 0.246206 Si\n0.750504 0.750590 0.249919 Si\n0.500975 0.994118 0.499250 Si\n0.002736 0.499453 0.499986 Si\n0.749341 0.250114 0.749699 Si\n0.235740 0.766712 0.763419 Si\n",
"nsites": 57,
"nelements": 4,
"elements": [
"H",
"Mg",
"O",
"Si"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.518313026611358,
"density_atomic": 0.10720343626389688,
"volume": 531.6993744462276,
"volume_molar": 5.617488552489701,
"formula_full": "Mg16 Si8 H1 O32",
"formula_reduced": "Mg16Si8HO32",
"formula_anonymous": "AB8C16D32",
"formation_energy": -2.8919057346837,
"spacegroup": 1
},
{
"id": "oqmd-686952",
"created_at": "2022-09-04T15:33:35.158374Z",
"updated_at": "2022-09-04T15:33:35.158392Z",
"structure_string": "Si18 O36\n1.0\n11.105693 0.069805 -0.107830\n-5.488006 9.944787 -0.316216\n-0.043948 -0.189772 5.171601\nO Si\n36 18\ndirect\n0.433730 0.630439 0.078077 O\n0.887685 0.714179 0.084361 O\n0.624059 0.872542 0.116466 O\n0.825571 0.114137 0.117396 O\n0.284416 0.170329 0.151259 O\n0.227086 0.389127 0.153980 O\n0.982780 0.373670 0.223779 O\n0.607681 0.567499 0.230309 O\n0.392945 0.821081 0.290937 O\n0.441079 0.056235 0.317191 O\n0.788612 0.492049 0.321506 O\n0.850683 0.917395 0.351586 O\n0.112765 0.899941 0.353478 O\n0.067959 0.154989 0.362309 O\n0.724242 0.248486 0.390589 O\n0.499881 0.310056 0.462336 O\n0.164510 0.602786 0.488346 O\n0.380271 0.554442 0.555387 O\n0.623068 0.745618 0.562476 O\n0.848901 0.712877 0.583036 O\n0.145802 0.381033 0.614005 O\n0.876840 0.171850 0.622332 O\n0.271294 0.138973 0.637369 O\n0.600072 0.029723 0.650666 O\n0.311360 0.937741 0.698482 O\n0.946652 0.534998 0.730873 O\n0.417949 0.805312 0.756795 O\n0.701715 0.499809 0.825008 O\n0.379755 0.386489 0.836772 O\n0.837594 0.916393 0.849742 O\n0.082563 0.925667 0.853292 O\n0.078003 0.168174 0.875864 O\n0.760572 0.278492 0.899326 O\n0.505447 0.241245 0.950522 O\n0.191762 0.549383 0.970854 O\n0.134640 0.738282 0.979823 O\n0.462610 0.795987 0.040998 Si\n0.052556 0.819743 0.073713 Si\n0.786843 0.958639 0.109995 Si\n0.746246 0.571895 0.118213 Si\n0.172737 0.218786 0.137545 Si\n0.824867 0.256667 0.162605 Si\n0.438831 0.187194 0.229113 Si\n0.143540 0.467360 0.313308 Si\n0.511100 0.621751 0.370591 Si\n0.436052 0.933949 0.539887 Si\n0.791371 0.821027 0.587519 Si\n0.822685 0.558937 0.618274 Si\n0.035871 0.215613 0.622555 Si\n0.194193 0.976085 0.628081 Si\n0.731406 0.175961 0.646399 Si\n0.418161 0.271252 0.729945 Si\n0.113177 0.612796 0.784881 Si\n0.307736 0.484994 0.839942 Si\n",
"nsites": 54,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 3.1378930869702533,
"density_atomic": 0.09435160532499902,
"volume": 572.3273050203459,
"volume_molar": 6.382658503007365,
"formula_full": "Si18 O36",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"formation_energy": -2.83557540410436,
"spacegroup": 1
},
{
"id": "oqmd-121744",
"created_at": "2022-09-04T15:33:35.742751Z",
"updated_at": "2022-09-04T15:33:35.742772Z",
"structure_string": "Zr21 N12 O24\n1.0\n9.597184 -0.020172 -0.030125\n-4.816073 8.262192 0.026708\n-0.028017 0.012502 8.909532\nN O Zr\n12 24 21\ndirect\n0.113709 0.484226 0.065228 N\n0.817884 0.034404 0.108947 N\n0.222276 0.178285 0.114028 N\n0.708149 0.549636 0.219937 N\n0.780312 0.817548 0.398636 N\n0.484512 0.367732 0.442281 N\n0.888894 0.511547 0.447295 N\n0.374825 0.882941 0.553239 N\n0.446980 0.150852 0.731922 N\n0.151179 0.701042 0.775621 N\n0.555594 0.844912 0.780672 N\n0.041555 0.216294 0.886595 N\n0.361938 0.881210 0.054233 O\n0.515349 0.635831 0.061406 O\n0.978781 0.789510 0.112331 O\n0.840575 0.303046 0.217741 O\n0.468682 0.148542 0.218464 O\n0.537709 0.844089 0.271061 O\n0.296092 0.455670 0.275029 O\n0.159887 0.705200 0.277922 O\n0.028544 0.214482 0.387566 O\n0.182057 0.969178 0.394853 O\n0.645491 0.122805 0.445612 O\n0.507214 0.636352 0.551109 O\n0.135254 0.481883 0.551798 O\n0.204317 0.177443 0.604426 O\n0.962756 0.788876 0.608259 O\n0.826577 0.038564 0.611341 O\n0.695229 0.547805 0.720777 O\n0.848718 0.302526 0.728166 O\n0.312126 0.456181 0.778895 O\n0.174013 0.969656 0.884572 O\n0.802136 0.815246 0.885057 O\n0.871004 0.510779 0.937771 O\n0.629478 0.122316 0.941587 O\n0.493288 0.371875 0.944640 O\n0.003395 0.010905 0.005728 Zr\n0.118648 0.700860 0.011400 Zr\n0.586946 0.882388 0.015894 Zr\n0.275677 0.402314 0.016514 Zr\n0.067483 0.456284 0.314137 Zr\n0.548836 0.614182 0.317806 Zr\n0.377795 0.923639 0.322087 Zr\n0.669997 0.344224 0.339019 Zr\n0.785307 0.034142 0.344736 Zr\n0.253580 0.215691 0.349227 Zr\n0.942293 0.735618 0.349897 Zr\n0.734181 0.789625 0.647459 Zr\n0.215540 0.947507 0.651147 Zr\n0.044479 0.257018 0.655430 Zr\n0.336693 0.677557 0.672396 Zr\n0.451976 0.367484 0.678046 Zr\n0.920276 0.548983 0.682519 Zr\n0.608988 0.068949 0.683192 Zr\n0.400913 0.122992 0.980826 Zr\n0.882244 0.280878 0.984455 Zr\n0.711169 0.590373 0.988760 Zr\n",
"nsites": 57,
"nelements": 3,
"elements": [
"N",
"O",
"Zr"
],
"chemical_system": "N-O-Zr",
"density": 5.807608591101408,
"density_atomic": 0.08078270974689722,
"volume": 705.596533943816,
"volume_molar": 7.454739731890838,
"formula_full": "Zr21 N12 O24",
"formula_reduced": "Zr7(NO2)4",
"formula_anonymous": "A4B7C8",
"formation_energy": -2.8741950453546,
"spacegroup": 1
},
{
"id": "oqmd-42298",
"created_at": "2022-09-04T15:33:36.578185Z",
"updated_at": "2022-09-04T15:33:36.578212Z",
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{
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"structure_string": "Te36 Au24\n1.0\n12.185831 -0.105566 0.014447\n-4.274562 12.885301 0.016314\n-1.379324 -3.261285 10.142500\nAu Te\n24 36\ndirect\n0.881033 0.167529 0.034492 Au\n0.326023 0.247245 0.046135 Au\n0.657296 0.492881 0.091665 Au\n0.987047 0.740069 0.146290 Au\n0.300439 0.982065 0.197254 Au\n0.761712 0.073463 0.204012 Au\n0.076625 0.306482 0.252418 Au\n0.407680 0.561562 0.311677 Au\n0.741056 0.806331 0.354707 Au\n0.183034 0.883321 0.380340 Au\n0.069450 0.040822 0.416085 Au\n0.505670 0.130144 0.426023 Au\n0.830983 0.374142 0.471783 Au\n0.156642 0.620192 0.521003 Au\n0.496907 0.871320 0.571830 Au\n0.823507 0.117260 0.620482 Au\n0.143824 0.355057 0.669751 Au\n0.584515 0.441613 0.682466 Au\n0.914426 0.691218 0.734635 Au\n0.242095 0.935069 0.783996 Au\n0.569440 0.179235 0.831280 Au\n0.900005 0.424776 0.884529 Au\n0.223589 0.673509 0.928081 Au\n0.671048 0.756969 0.949184 Au\n0.582535 0.924178 0.000366 Te\n0.756756 0.329858 0.037263 Te\n0.082158 0.578777 0.084958 Te\n0.227607 0.407174 0.111681 Te\n0.567955 0.662919 0.135801 Te\n0.408744 0.837283 0.162574 Te\n0.888577 0.899253 0.202456 Te\n0.174207 0.112246 0.228147 Te\n0.511501 0.389327 0.250151 Te\n0.635754 0.234825 0.272127 Te\n0.850872 0.635314 0.294562 Te\n0.972944 0.481955 0.309648 Te\n0.303502 0.739614 0.367218 Te\n0.642261 0.997214 0.395382 Te\n0.941532 0.219678 0.411365 Te\n0.403282 0.287551 0.471604 Te\n0.256690 0.458087 0.479791 Te\n0.592360 0.712438 0.508271 Te\n0.732779 0.535080 0.534275 Te\n0.918809 0.955566 0.566335 Te\n0.064003 0.786839 0.580792 Te\n0.404565 0.033357 0.603903 Te\n0.238874 0.196168 0.634680 Te\n0.723063 0.276293 0.675170 Te\n0.017117 0.491174 0.694576 Te\n0.469810 0.605545 0.719405 Te\n0.329765 0.758649 0.741997 Te\n0.682957 0.012378 0.787871 Te\n0.818989 0.870262 0.813016 Te\n0.996909 0.241483 0.849301 Te\n0.136396 0.096509 0.854811 Te\n0.483377 0.356970 0.865598 Te\n0.769363 0.595548 0.891618 Te\n0.326029 0.516941 0.892884 Te\n0.095077 0.809706 0.955541 Te\n0.418834 0.083569 0.987745 Te\n",
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{
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}