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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=90",
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"results": [
{
"id": "oqmd-827978",
"created_at": "2022-09-04T15:24:01.347273Z",
"updated_at": "2022-09-04T15:24:01.347305Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.265323 -0.312073 0.906453\n2.871480 5.603276 0.928293\n1.070609 0.665117 7.852731\nGd Mg Zn\n4 4 4\ndirect\n0.566041 0.233492 0.291087 Gd\n0.072158 0.735573 0.358613 Gd\n0.756892 0.384163 0.614409 Gd\n0.987527 0.607834 0.947740 Gd\n0.577976 0.757736 0.260368 Mg\n0.262367 0.908282 0.610675 Mg\n0.463630 0.649668 0.952626 Mg\n0.003234 0.096949 0.966221 Mg\n0.097877 0.228917 0.270237 Zn\n0.279806 0.341077 0.658925 Zn\n0.693982 0.919782 0.662272 Zn\n0.488437 0.140398 0.955226 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.968630306464181,
"density_atomic": 0.04366296123607169,
"volume": 274.8324818172508,
"volume_molar": 13.792332424363542,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.180432808055557,
"spacegroup": 1
},
{
"id": "oqmd-827983",
"created_at": "2022-09-04T15:24:01.403755Z",
"updated_at": "2022-09-04T15:24:01.403789Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.330292 0.213151 -0.145579\n3.351054 5.717932 -0.015034\n-0.181637 0.083120 7.895324\nGd Mg Zn\n4 4 4\ndirect\n0.688917 0.141018 0.222272 Gd\n0.174028 0.479777 0.511981 Gd\n0.310272 0.904152 0.547484 Gd\n0.850887 0.632244 0.903804 Gd\n0.251144 0.691848 0.163815 Mg\n0.167048 0.192368 0.180265 Mg\n0.746973 0.375726 0.567098 Mg\n0.969500 0.061317 0.875903 Mg\n0.707657 0.646635 0.274140 Zn\n0.734744 0.966666 0.592287 Zn\n0.421423 0.533292 0.846459 Zn\n0.393166 0.155558 0.856078 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.859359120021404,
"density_atomic": 0.04286359800985489,
"volume": 279.9578326868651,
"volume_molar": 14.049545627540256,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.141084018055557,
"spacegroup": 1
},
{
"id": "oqmd-827986",
"created_at": "2022-09-04T15:24:01.318081Z",
"updated_at": "2022-09-04T15:24:01.318090Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.519664 -0.087551 -0.002829\n3.186937 5.144250 -0.001309\n-0.002905 0.001245 8.236426\nGd Mg Zn\n4 4 4\ndirect\n0.698100 0.615291 0.014165 Gd\n0.385705 0.953531 0.382650 Gd\n0.620190 0.346508 0.605804 Gd\n0.129691 0.798291 0.881846 Gd\n0.335986 0.497285 0.230396 Mg\n0.852567 0.043599 0.232096 Mg\n0.922241 0.495147 0.370867 Mg\n0.154088 0.286153 0.720639 Mg\n0.193707 0.183926 0.064022 Zn\n0.066308 0.789955 0.528825 Zn\n0.686399 0.816961 0.687057 Zn\n0.561916 0.194618 0.942578 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.889231699439827,
"density_atomic": 0.0430821280930057,
"volume": 278.5377726488905,
"volume_molar": 13.978280615570805,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.156368742222223,
"spacegroup": 1
},
{
"id": "oqmd-828002",
"created_at": "2022-09-04T15:24:01.361365Z",
"updated_at": "2022-09-04T15:24:01.361380Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n5.850977 -0.444520 0.329229\n2.543006 5.483094 0.232129\n0.383940 0.087872 8.501703\nGd Mg Zn\n4 4 4\ndirect\n0.890645 0.955739 0.264590 Gd\n0.007922 0.352802 0.477684 Gd\n0.518651 0.174472 0.690713 Gd\n0.345036 0.631710 0.982464 Gd\n0.357368 0.120538 0.112613 Mg\n0.469973 0.473648 0.345024 Mg\n0.104138 0.795549 0.638447 Mg\n0.950664 0.239303 0.879893 Mg\n0.881637 0.491150 0.151308 Zn\n0.430821 0.912519 0.417577 Zn\n0.622008 0.660425 0.682707 Zn\n0.794351 0.811267 0.924557 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.825624191525554,
"density_atomic": 0.04261681327037778,
"volume": 281.57900788750425,
"volume_molar": 14.130903504664174,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.13350944888889,
"spacegroup": 1
},
{
"id": "oqmd-828021",
"created_at": "2022-09-04T15:24:01.995178Z",
"updated_at": "2022-09-04T15:24:01.995202Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.389873 0.086817 0.012558\n3.270226 5.645507 0.116463\n0.031837 0.310615 15.838528\nGd Mg Zn\n8 8 8\ndirect\n0.649541 0.501796 0.130413 Gd\n0.087949 0.025674 0.248410 Gd\n0.186496 0.474354 0.274387 Gd\n0.638898 0.583283 0.360813 Gd\n0.101467 0.866370 0.641585 Gd\n0.652964 0.374783 0.748167 Gd\n0.234749 0.205694 0.785515 Gd\n0.068387 0.785737 0.861778 Gd\n0.227093 0.980027 0.035263 Mg\n0.844031 0.895524 0.085909 Mg\n0.685837 0.061266 0.408807 Mg\n0.159400 0.118789 0.449415 Mg\n0.188986 0.576960 0.471908 Mg\n0.620880 0.774960 0.550603 Mg\n0.606799 0.737168 0.909826 Mg\n0.509663 0.258897 0.951339 Mg\n0.054736 0.482891 0.013884 Zn\n0.373106 0.220117 0.123355 Zn\n0.642113 0.950720 0.243444 Zn\n0.701716 0.325443 0.539061 Zn\n0.453985 0.191069 0.615508 Zn\n0.004699 0.408451 0.619580 Zn\n0.711005 0.802719 0.728800 Zn\n0.908316 0.270725 0.921829 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.7897938177278325,
"density_atomic": 0.04235469949521072,
"volume": 566.6431419898,
"volume_molar": 14.218353173963509,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.0983361651388902,
"spacegroup": 1
},
{
"id": "oqmd-828019",
"created_at": "2022-09-04T15:24:11.625286Z",
"updated_at": "2022-09-04T15:24:11.625313Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.377124 -0.019456 0.152987\n3.173034 5.541313 0.264367\n0.374315 0.520473 15.962944\nGd Mg Zn\n8 8 8\ndirect\n0.471735 0.544853 0.062763 Gd\n0.054878 0.488745 0.210656 Gd\n0.632241 0.329905 0.271432 Gd\n0.198495 0.877254 0.301366 Gd\n0.174056 0.366385 0.428152 Gd\n0.021466 0.291751 0.636043 Gd\n0.982914 0.544456 0.839687 Gd\n0.097191 0.970598 0.891334 Gd\n0.103661 0.272243 0.034672 Mg\n0.538784 0.972972 0.151520 Mg\n0.684736 0.835405 0.347938 Mg\n0.838691 0.074836 0.461148 Mg\n0.565757 0.833309 0.554632 Mg\n0.522262 0.291167 0.603575 Mg\n0.372042 0.685157 0.717113 Mg\n0.542610 0.054681 0.927300 Mg\n0.912368 0.745318 0.026821 Zn\n0.969260 0.000251 0.132736 Zn\n0.540877 0.548897 0.443831 Zn\n0.175073 0.730483 0.553248 Zn\n0.881250 0.836646 0.675192 Zn\n0.441147 0.044523 0.759789 Zn\n0.724184 0.212742 0.765786 Zn\n0.543628 0.498382 0.881401 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.815543734790663,
"density_atomic": 0.042543070624400735,
"volume": 564.1341738561464,
"volume_molar": 14.155397510366774,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.0936729284722236,
"spacegroup": 1
},
{
"id": "oqmd-828000",
"created_at": "2022-09-04T15:24:11.562564Z",
"updated_at": "2022-09-04T15:24:11.562600Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.183929 0.045155 -0.766767\n3.117129 5.757897 0.248511\n-0.916860 0.817736 7.978855\nGd Mg Zn\n4 4 4\ndirect\n0.648724 0.047682 0.049991 Gd\n0.169207 0.238121 0.398676 Gd\n0.793088 0.913734 0.662747 Gd\n0.808654 0.395219 0.737505 Gd\n0.174182 0.557986 0.050382 Mg\n0.618946 0.725522 0.338409 Mg\n0.160163 0.742789 0.408059 Mg\n0.336829 0.865168 0.786139 Mg\n0.146654 0.025168 0.071899 Zn\n0.716987 0.495183 0.072961 Zn\n0.637608 0.284017 0.359872 Zn\n0.299040 0.416894 0.726660 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.949717615809173,
"density_atomic": 0.043524607202308684,
"volume": 275.70610675984415,
"volume_molar": 13.836174860828075,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.17924091638889,
"spacegroup": 1
},
{
"id": "oqmd-828016",
"created_at": "2022-09-04T15:24:11.812929Z",
"updated_at": "2022-09-04T15:24:11.812950Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.358037 0.045670 0.152691\n3.217932 5.445994 0.122063\n0.377490 0.133734 16.301788\nGd Mg Zn\n8 8 8\ndirect\n0.755513 0.290403 0.141121 Gd\n0.247308 0.783241 0.243607 Gd\n0.197799 0.300096 0.290178 Gd\n0.653177 0.688072 0.386619 Gd\n0.182778 0.857986 0.649176 Gd\n0.633708 0.368743 0.735257 Gd\n0.155650 0.298957 0.789131 Gd\n0.985044 0.880682 0.857396 Gd\n0.247361 0.853959 0.028788 Mg\n0.772342 0.785277 0.032564 Mg\n0.749099 0.152465 0.352139 Mg\n0.191128 0.603276 0.453095 Mg\n0.112345 0.153556 0.476585 Mg\n0.704980 0.975292 0.530823 Mg\n0.551294 0.755305 0.873779 Mg\n0.436996 0.319271 0.958198 Mg\n0.169753 0.524157 0.116971 Zn\n0.384859 0.077199 0.129737 Zn\n0.761846 0.788820 0.214833 Zn\n0.598191 0.450564 0.544400 Zn\n0.893233 0.529253 0.609315 Zn\n0.334898 0.281959 0.620686 Zn\n0.669119 0.869097 0.715957 Zn\n0.910309 0.327634 0.955600 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.8405657258574175,
"density_atomic": 0.042726116678503595,
"volume": 561.717325742241,
"volume_molar": 14.094753345627279,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.0945607838888902,
"spacegroup": 1
},
{
"id": "oqmd-828018",
"created_at": "2022-09-04T15:24:14.101521Z",
"updated_at": "2022-09-04T15:24:14.101558Z",
"structure_string": "Gd8 Mg8 Zn8\n1.0\n6.245333 0.050335 0.103403\n3.165103 5.616486 -0.088406\n0.252529 -0.397663 16.088788\nGd Mg Zn\n8 8 8\ndirect\n0.729283 0.324709 0.161998 Gd\n0.154462 0.762679 0.252630 Gd\n0.306571 0.190425 0.280410 Gd\n0.715647 0.656639 0.363308 Gd\n0.239525 0.849344 0.645459 Gd\n0.758889 0.434325 0.725282 Gd\n0.180236 0.517903 0.834722 Gd\n0.809070 0.093481 0.856903 Gd\n0.500156 0.173119 0.011960 Mg\n0.040581 0.789484 0.025221 Mg\n0.747020 0.165461 0.376106 Mg\n0.235204 0.599869 0.447501 Mg\n0.171498 0.127510 0.468641 Mg\n0.688118 0.974520 0.536618 Mg\n0.369709 0.951556 0.830221 Mg\n0.620332 0.631933 0.967001 Mg\n0.298259 0.954769 0.111950 Zn\n0.143516 0.429606 0.126190 Zn\n0.719222 0.812814 0.168106 Zn\n0.667385 0.432440 0.537329 Zn\n0.005920 0.524797 0.584499 Zn\n0.389301 0.301866 0.664442 Zn\n0.738034 0.892237 0.703957 Zn\n0.054418 0.223565 0.984752 Zn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.845085996870805,
"density_atomic": 0.042759184301710274,
"volume": 561.282924170283,
"volume_molar": 14.083853231407709,
"formula_full": "Gd8 Mg8 Zn8",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.0841066197222234,
"spacegroup": 1
},
{
"id": "oqmd-826456",
"created_at": "2022-09-04T15:24:17.296780Z",
"updated_at": "2022-09-04T15:24:17.296807Z",
"structure_string": "Nb2 Cu2 O6\n1.0\n2.820964 -3.234834 -2.981815\n-2.725173 -1.793759 -3.828280\n-1.219573 4.744800 -3.018006\nCu Nb O\n2 2 6\ndirect\n0.716635 0.121984 0.083326 Cu\n0.443335 0.769832 0.111062 Cu\n0.252359 0.286676 0.455622 Nb\n0.879705 0.655161 0.757438 Nb\n0.180757 0.585053 0.121188 O\n0.887432 0.287879 0.322707 O\n0.549778 0.953785 0.391003 O\n0.184098 0.592494 0.620261 O\n0.861294 0.298760 0.804788 O\n0.544607 0.948374 0.832606 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"Nb",
"O"
],
"chemical_system": "Cu-Nb-O",
"density": 5.516080216256254,
"density_atomic": 0.08123873142650424,
"volume": 123.09399499974819,
"volume_molar": 7.412893645992198,
"formula_full": "Nb2 Cu2 O6",
"formula_reduced": "NbCuO3",
"formula_anonymous": "ABC3",
"formation_energy": -2.06916592286465,
"spacegroup": 1
},
{
"id": "oqmd-692029",
"created_at": "2022-09-04T15:24:45.982288Z",
"updated_at": "2022-09-04T15:24:45.982313Z",
"structure_string": "K4 Pu4 O11\n1.0\n6.083929 0.040297 0.006721\n0.040064 6.106211 -0.004877\n0.009372 -0.006825 8.629681\nK O Pu\n4 11 4\ndirect\n0.002435 0.003643 0.262768 K\n0.489437 0.504951 0.268097 K\n0.492895 0.493437 0.729974 K\n0.997487 0.997884 0.740526 K\n0.805783 0.805532 0.008797 O\n0.489383 0.019333 0.251950 O\n0.994253 0.485753 0.252601 O\n0.742294 0.276454 0.487843 O\n0.740038 0.774601 0.490351 O\n0.239647 0.724366 0.511230 O\n0.245515 0.225896 0.511592 O\n0.952107 0.483565 0.748489 O\n0.534231 0.026889 0.748680 O\n0.314775 0.691824 0.987265 O\n0.206930 0.209652 0.991308 O\n0.495305 0.002414 0.500979 Pu\n0.989574 0.497957 0.500980 Pu\n0.019337 0.513298 0.998612 Pu\n0.494421 0.985258 0.998906 Pu\n",
"nsites": 19,
"nelements": 3,
"elements": [
"K",
"O",
"Pu"
],
"chemical_system": "K-O-Pu",
"density": 6.777260404163705,
"density_atomic": 0.059268316151197216,
"volume": 320.57600474981945,
"volume_molar": 10.16080960464127,
"formula_full": "K4 Pu4 O11",
"formula_reduced": "K4Pu4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.67215131865471,
"spacegroup": 1
},
{
"id": "oqmd-38067",
"created_at": "2022-09-04T15:26:39.292282Z",
"updated_at": "2022-09-04T15:26:39.292308Z",
"structure_string": "Te2 H18 S2 N4 O10 F6\n1.0\n6.785841 -0.003215 -0.059797\n2.136620 6.997825 -0.036924\n0.343921 1.536432 8.100008\nF H N O S Te\n6 18 4 10 2 2\ndirect\n0.120595 0.192907 0.054156 F\n0.983864 0.915567 0.226581 F\n0.516334 0.208287 0.437605 F\n0.741332 0.639689 0.498851 F\n0.346445 0.567674 0.499119 F\n0.908897 0.753619 0.995811 F\n0.443174 0.894876 0.135263 H\n0.216811 0.438376 0.175711 H\n0.573597 0.040533 0.194691 H\n0.986945 0.585151 0.206751 H\n0.659203 0.390023 0.208858 H\n0.633817 0.800690 0.280927 H\n0.063656 0.360192 0.324216 H\n0.410845 0.952317 0.325061 H\n0.178605 0.531607 0.350607 H\n0.464846 0.915747 0.632959 H\n0.041382 0.637249 0.672101 H\n0.712441 0.899556 0.674885 H\n0.111255 0.386959 0.702162 H\n0.522308 0.006788 0.792202 H\n0.909650 0.508176 0.799752 H\n0.589187 0.761090 0.801268 H\n0.150583 0.499690 0.852201 H\n0.302579 0.701160 0.995078 H\n0.517228 0.922667 0.232394 N\n0.111455 0.478596 0.266135 N\n0.572278 0.894956 0.726888 N\n0.053604 0.509107 0.754437 N\n0.664029 0.239563 0.084682 O\n0.642865 0.499922 0.270458 O\n0.943916 0.201863 0.433371 O\n0.268769 0.954427 0.496243 O\n0.960351 0.901990 0.628670 O\n0.105041 0.139019 0.705296 O\n0.506180 0.243865 0.823349 O\n0.658839 0.498360 0.850510 O\n0.343655 0.484079 0.991161 O\n0.282846 0.844309 0.995477 O\n0.072349 0.043951 0.566656 S\n0.544089 0.366135 0.933808 S\n0.636075 0.404027 0.501932 Te\n0.000500 0.999499 0.992424 Te\n",
"nsites": 42,
"nelements": 6,
"elements": [
"F",
"H",
"N",
"O",
"S",
"Te"
],
"chemical_system": "F-H-N-O-S-Te",
"density": 2.8787216595753375,
"density_atomic": 0.10908346330489214,
"volume": 385.0262792134543,
"volume_molar": 5.5206724993392475,
"formula_full": "Te2 H18 S2 N4 O10 F6",
"formula_reduced": "TeH9SN2O5F3",
"formula_anonymous": "ABC2D3E5F9",
"formation_energy": -1.2910147378323,
"spacegroup": 1
}
]
}