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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=86",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=84",
"results": [
{
"id": "oqmd-827641",
"created_at": "2022-09-04T15:22:47.728149Z",
"updated_at": "2022-09-04T15:22:47.728180Z",
"structure_string": "Ca4 Mg4 Zn4\n1.0\n5.729290 0.079716 0.175348\n-2.794555 4.910178 -0.051686\n0.328595 0.076613 10.672900\nCa Mg Zn\n4 4 4\ndirect\n0.689887 0.557106 0.247302 Ca\n0.000000 0.233858 0.412147 Ca\n0.318283 0.913405 0.577632 Ca\n0.757298 0.960547 0.996240 Ca\n0.340178 0.903639 0.258379 Mg\n0.653769 0.571302 0.540100 Mg\n0.289372 0.441208 0.789580 Mg\n0.786632 0.439361 0.803430 Mg\n0.392764 0.274930 0.028926 Zn\n0.123264 0.573571 0.045675 Zn\n0.830583 0.976081 0.707407 Zn\n0.257455 0.924841 0.855877 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 2.851546536884874,
"density_atomic": 0.03969215660767765,
"volume": 302.32673217052763,
"volume_molar": 15.172117805347815,
"formula_full": "Ca4 Mg4 Zn4",
"formula_reduced": "CaMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.08876002388889,
"spacegroup": 1
},
{
"id": "oqmd-827660",
"created_at": "2022-09-04T15:22:47.890970Z",
"updated_at": "2022-09-04T15:22:47.890998Z",
"structure_string": "Ca3 Mg3 Zn3\n1.0\n5.332783 -0.136590 -0.465708\n-2.792451 4.537760 0.320859\n-0.894533 0.198566 9.652424\nCa Mg Zn\n3 3 3\ndirect\n0.878905 0.856135 0.067001 Ca\n0.605918 0.171867 0.311790 Ca\n0.454241 0.232097 0.770851 Ca\n0.961369 0.840825 0.426207 Mg\n0.750397 0.915483 0.678436 Mg\n0.171779 0.545720 0.928186 Mg\n0.255130 0.507464 0.209083 Zn\n0.308344 0.487565 0.466971 Zn\n0.080790 0.557934 0.654757 Zn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 2.83630413072137,
"density_atomic": 0.03947998964329749,
"volume": 227.96358563705772,
"volume_molar": 15.2536533428964,
"formula_full": "Ca3 Mg3 Zn3",
"formula_reduced": "CaMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.0993862330555568,
"spacegroup": 1
},
{
"id": "oqmd-827588",
"created_at": "2022-09-04T15:23:26.067527Z",
"updated_at": "2022-09-04T15:23:26.067558Z",
"structure_string": "Ti10 H8 O24\n1.0\n5.889234 -0.046391 -0.161823\n8.637536 15.140005 -0.509186\n8.549326 11.678814 4.186789\nH O Ti\n8 24 10\ndirect\n0.413646 0.573782 0.054027 H\n0.253379 0.023783 0.105081 H\n0.994564 0.873381 0.161813 H\n0.332654 0.230176 0.295700 H\n0.237060 0.449064 0.358673 H\n0.394791 0.565709 0.574239 H\n0.012060 0.468068 0.882520 H\n0.962931 0.723073 0.908083 H\n0.900334 0.709545 0.368649 O\n0.386733 0.197570 0.381149 O\n0.841513 0.866224 0.386801 O\n0.347629 0.362601 0.388750 O\n0.855592 0.201884 0.392743 O\n0.383642 0.863526 0.394433 O\n0.417993 0.523682 0.395855 O\n0.870007 0.515745 0.397022 O\n0.399243 0.006686 0.398475 O\n0.867798 0.343489 0.413985 O\n0.892101 0.002971 0.415561 O\n0.364950 0.659077 0.423398 O\n0.404969 0.920952 0.815204 O\n0.403510 0.403462 0.841025 O\n0.442239 0.723966 0.849068 O\n0.900559 0.730974 0.850789 O\n0.912092 0.554187 0.853929 O\n0.412493 0.553734 0.857646 O\n0.867096 0.893290 0.863410 O\n0.854547 0.362192 0.874168 O\n0.874377 0.209504 0.875451 O\n0.433845 0.030230 0.879886 O\n0.883708 0.015602 0.893458 O\n0.354556 0.185187 0.899162 O\n0.591970 0.140118 0.097383 Ti\n0.647176 0.757467 0.167505 Ti\n0.678326 0.997989 0.575190 Ti\n0.614824 0.151413 0.601490 Ti\n0.653776 0.801532 0.609208 Ti\n0.648169 0.621468 0.621558 Ti\n0.124680 0.105537 0.635204 Ti\n0.112740 0.430884 0.639687 Ti\n0.655672 0.267014 0.658422 Ti\n0.145271 0.753840 0.669148 Ti\n",
"nsites": 42,
"nelements": 3,
"elements": [
"H",
"O",
"Ti"
],
"chemical_system": "H-O-Ti",
"density": 3.485438407782129,
"density_atomic": 0.10124638468804628,
"volume": 414.8296270470066,
"volume_molar": 5.948005727369947,
"formula_full": "Ti10 H8 O24",
"formula_reduced": "Ti5(HO3)4",
"formula_anonymous": "A4B5C12",
"formation_energy": -2.53967567443872,
"spacegroup": 1
},
{
"id": "oqmd-827996",
"created_at": "2022-09-04T15:23:59.949530Z",
"updated_at": "2022-09-04T15:23:59.949561Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.285128 0.112192 -0.042457\n3.240237 5.636748 -0.018826\n-0.050507 0.002560 8.017170\nGd Mg Zn\n4 4 4\ndirect\n0.327834 0.777791 0.146675 Gd\n0.756570 0.076837 0.433401 Gd\n0.665135 0.564634 0.737998 Gd\n0.533688 0.116411 0.838073 Gd\n0.824454 0.272982 0.087784 Mg\n0.260775 0.323269 0.183341 Mg\n0.257168 0.064318 0.498091 Mg\n0.213132 0.561106 0.528469 Mg\n0.806966 0.788372 0.120708 Zn\n0.790939 0.547426 0.378258 Zn\n0.076292 0.023999 0.791469 Zn\n0.101504 0.627765 0.867078 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.835483788829756,
"density_atomic": 0.04268894023968101,
"volume": 281.1032537379679,
"volume_molar": 14.10702801753366,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.13228317388889,
"spacegroup": 1
},
{
"id": "oqmd-827967",
"created_at": "2022-09-04T15:24:00.011136Z",
"updated_at": "2022-09-04T15:24:00.011162Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.384890 0.191979 -0.372698\n3.362123 5.629824 -0.262003\n-0.458918 -0.108084 7.815265\nGd Mg Zn\n4 4 4\ndirect\n0.795161 0.668466 0.128529 Gd\n0.077495 0.162368 0.417261 Gd\n0.545800 0.246943 0.477966 Gd\n0.239135 0.904390 0.819387 Gd\n0.745535 0.185501 0.063985 Mg\n0.296106 0.662364 0.180755 Mg\n0.616847 0.701602 0.506354 Mg\n0.203897 0.424024 0.805161 Mg\n0.309783 0.180491 0.123273 Zn\n0.046996 0.722228 0.493885 Zn\n0.759441 0.412612 0.784407 Zn\n0.727801 0.908812 0.789533 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.967242807152623,
"density_atomic": 0.04365281111359048,
"volume": 274.89638568234216,
"volume_molar": 13.795539408285942,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.167783640555557,
"spacegroup": 1
},
{
"id": "oqmd-828001",
"created_at": "2022-09-04T15:24:00.267338Z",
"updated_at": "2022-09-04T15:24:00.267365Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.376163 0.273915 -0.090492\n3.422599 5.606083 -0.008204\n-0.112816 0.054976 8.059631\nGd Mg Zn\n4 4 4\ndirect\n0.824496 0.691061 0.084675 Gd\n0.582856 0.231633 0.501356 Gd\n0.002230 0.382121 0.520135 Gd\n0.159636 0.855413 0.769390 Gd\n0.397798 0.568292 0.128369 Mg\n0.936518 0.123686 0.148392 Mg\n0.447569 0.824948 0.418286 Mg\n0.342797 0.263844 0.868962 Mg\n0.325445 0.194002 0.196581 Zn\n0.049332 0.774686 0.405715 Zn\n0.665614 0.821810 0.722575 Zn\n0.722553 0.400851 0.830546 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.848724463600268,
"density_atomic": 0.0427858011674919,
"volume": 280.4668762196148,
"volume_molar": 14.075091725933474,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.163577348055557,
"spacegroup": 1
},
{
"id": "oqmd-827946",
"created_at": "2022-09-04T15:23:58.814451Z",
"updated_at": "2022-09-04T15:23:58.814469Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.168445 -0.562910 -0.176997\n2.594847 5.363793 -0.157105\n-0.225002 -0.107717 7.994752\nGd Mg Zn\n4 4 4\ndirect\n0.208424 0.884651 0.198333 Gd\n0.562949 0.332648 0.299287 Gd\n0.037219 0.185660 0.584886 Gd\n0.487073 0.730585 0.790656 Gd\n0.015875 0.451197 0.209987 Mg\n0.712308 0.807422 0.459236 Mg\n0.015490 0.656577 0.843366 Mg\n0.820324 0.206415 0.935857 Mg\n0.692707 0.866694 0.109531 Zn\n0.187264 0.625350 0.517136 Zn\n0.509689 0.228199 0.661022 Zn\n0.332982 0.233440 0.958398 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.945413695687805,
"density_atomic": 0.0434931222739795,
"volume": 275.90569204039883,
"volume_molar": 13.846190949604113,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.13877013138889,
"spacegroup": 1
},
{
"id": "oqmd-827969",
"created_at": "2022-09-04T15:23:59.432119Z",
"updated_at": "2022-09-04T15:23:59.432133Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.479420 0.073642 -0.147362\n3.303717 5.605390 -0.029394\n-0.180339 0.062745 7.827801\nGd Mg Zn\n4 4 4\ndirect\n0.940065 0.485305 0.040166 Gd\n0.707419 0.425686 0.432345 Gd\n0.291772 0.270421 0.652271 Gd\n0.134563 0.838621 0.702219 Gd\n0.445441 0.985701 0.011125 Mg\n0.414654 0.510421 0.057966 Mg\n0.895830 0.011463 0.087726 Mg\n0.259158 0.979583 0.336012 Mg\n0.160707 0.590415 0.351723 Zn\n0.719258 0.919125 0.396204 Zn\n0.708765 0.753104 0.711076 Zn\n0.706745 0.320680 0.788072 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.812154209324764,
"density_atomic": 0.042518274865335895,
"volume": 282.2315824902695,
"volume_molar": 14.163652638949618,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.117366890555557,
"spacegroup": 1
},
{
"id": "oqmd-827949",
"created_at": "2022-09-04T15:23:59.234805Z",
"updated_at": "2022-09-04T15:23:59.234833Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.513089 -0.077411 -0.291845\n3.194703 5.229457 -0.257483\n-0.345076 -0.155267 8.154966\nGd Mg Zn\n4 4 4\ndirect\n0.927008 0.622879 0.012545 Gd\n0.196629 0.517764 0.429597 Gd\n0.837360 0.318776 0.596239 Gd\n0.331656 0.779188 0.844083 Gd\n0.570069 0.511824 0.201806 Mg\n0.080308 0.051328 0.209117 Mg\n0.437153 0.891376 0.485891 Mg\n0.383567 0.241906 0.773298 Mg\n0.425206 0.137138 0.104622 Zn\n0.735968 0.996965 0.343197 Zn\n0.834132 0.836611 0.683357 Zn\n0.787380 0.198536 0.927992 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.876839831054465,
"density_atomic": 0.04299147652955293,
"volume": 279.12509568614223,
"volume_molar": 14.007755132253479,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.14440447138889,
"spacegroup": 1
},
{
"id": "oqmd-827947",
"created_at": "2022-09-04T15:23:59.274205Z",
"updated_at": "2022-09-04T15:23:59.274236Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.474858 -0.025294 -0.070450\n3.216157 5.497222 0.191338\n-0.087482 0.319630 7.812699\nGd Mg Zn\n4 4 4\ndirect\n0.837220 0.052578 0.134886 Gd\n0.245720 0.186722 0.140268 Gd\n0.526434 0.160628 0.763812 Gd\n0.460389 0.688905 0.829748 Gd\n0.620340 0.882349 0.455032 Mg\n0.699066 0.382006 0.461402 Mg\n0.139841 0.525070 0.465134 Mg\n0.991535 0.636176 0.837218 Mg\n0.744792 0.636962 0.155759 Zn\n0.342124 0.610460 0.178641 Zn\n0.149944 0.971253 0.484530 Zn\n0.995758 0.193125 0.787684 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.89602578447906,
"density_atomic": 0.04313182959175347,
"volume": 278.21680910782237,
"volume_molar": 13.962173218711303,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.0837440930555567,
"spacegroup": 1
},
{
"id": "oqmd-827948",
"created_at": "2022-09-04T15:23:59.291794Z",
"updated_at": "2022-09-04T15:23:59.291816Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.530299 0.111658 -0.097565\n3.361503 5.459360 -0.280381\n-0.119540 -0.332703 7.911717\nGd Mg Zn\n4 4 4\ndirect\n0.181409 0.750000 0.152519 Gd\n0.719004 0.537017 0.483072 Gd\n0.046395 0.985220 0.743400 Gd\n0.460897 0.132639 0.777599 Gd\n0.689291 0.261359 0.104290 Mg\n0.647718 0.786726 0.110443 Mg\n0.140335 0.279889 0.133229 Mg\n0.719720 0.029436 0.419249 Mg\n0.259406 0.051028 0.435246 Zn\n0.214710 0.513671 0.485232 Zn\n0.954006 0.581529 0.815355 Zn\n0.545435 0.552470 0.831814 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.88933118378553,
"density_atomic": 0.043082855861506515,
"volume": 278.53306750543686,
"volume_molar": 13.978044490269358,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.150054732222224,
"spacegroup": 1
},
{
"id": "oqmd-827950",
"created_at": "2022-09-04T15:23:59.302969Z",
"updated_at": "2022-09-04T15:23:59.302989Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.461884 -0.067682 0.358144\n3.177903 5.267898 0.367231\n0.430096 0.261211 8.117260\nGd Mg Zn\n4 4 4\ndirect\n0.352322 0.169842 0.253078 Gd\n0.725062 0.341765 0.410563 Gd\n0.072871 0.323415 0.680305 Gd\n0.435319 0.522925 0.804788 Gd\n0.890946 0.600517 0.025338 Mg\n0.865565 0.113255 0.037658 Mg\n0.346969 0.702115 0.153224 Mg\n0.927325 0.737997 0.356312 Mg\n0.227664 0.838511 0.489788 Zn\n0.576482 0.868023 0.593135 Zn\n0.876058 0.947602 0.723069 Zn\n0.467366 0.000279 0.906640 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.923697027414167,
"density_atomic": 0.04333425600210108,
"volume": 276.91718070383337,
"volume_molar": 13.896952008840337,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.132175098055557,
"spacegroup": 1
}
]
}