HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=55",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=53",
"results": [
{
"id": "oqmd-25195",
"created_at": "2022-09-04T15:15:48.420147Z",
"updated_at": "2022-09-04T15:15:48.420176Z",
"structure_string": "Zr6 Sn6 Rh6\n1.0\n7.409709 0.000055 0.000000\n-3.704807 6.417024 0.000000\n0.000000 0.000000 7.277446\nRh Sn Zr\n6 6 6\ndirect\n0.333304 0.666611 0.033546 Rh\n0.000000 0.000000 0.250000 Rh\n0.333304 0.666611 0.466453 Rh\n0.666612 0.333305 0.533547 Rh\n0.000000 0.000000 0.749999 Rh\n0.666612 0.333305 0.966453 Rh\n0.000000 0.270062 0.000000 Sn\n0.729933 0.729933 0.000000 Sn\n0.270060 0.000000 0.000000 Sn\n0.729933 0.729933 0.500000 Sn\n0.270060 0.000000 0.500000 Sn\n0.000000 0.270062 0.500001 Sn\n0.611488 0.017534 0.250000 Zr\n0.406045 0.388507 0.250000 Zr\n0.982464 0.593954 0.250000 Zr\n0.388507 0.406045 0.749999 Zr\n0.017534 0.611487 0.749999 Zr\n0.593955 0.982464 0.749999 Zr\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rh",
"Sn",
"Zr"
],
"chemical_system": "Rh-Sn-Zr",
"density": 9.007541305130946,
"density_atomic": 0.05201838162357228,
"volume": 346.03152651414376,
"volume_molar": 11.576947555921366,
"formula_full": "Zr6 Sn6 Rh6",
"formula_reduced": "ZrSnRh",
"formula_anonymous": "ABC",
"formation_energy": -0.80748672783929,
"spacegroup": 190
},
{
"id": "oqmd-1015256",
"created_at": "2022-09-04T15:27:42.953377Z",
"updated_at": "2022-09-04T15:27:42.953396Z",
"structure_string": "Zr6 Sn6 Rh12\n1.0\n4.298859 0.000000 0.000000\n0.000000 7.480595 0.000000\n0.000001 0.000000 12.899195\nRh Sn Zr\n12 6 6\ndirect\n0.500000 0.250002 0.000000 Rh\n0.500000 0.749999 0.000000 Rh\n0.000116 0.249991 0.166678 Rh\n0.000116 0.750010 0.166678 Rh\n0.500100 0.250010 0.333321 Rh\n0.500100 0.749990 0.333321 Rh\n0.000000 0.249999 0.500000 Rh\n0.000000 0.750002 0.500000 Rh\n0.499900 0.250010 0.666679 Rh\n0.499900 0.749990 0.666679 Rh\n0.999884 0.249991 0.833323 Rh\n0.999884 0.750010 0.833323 Rh\n0.000000 0.000000 0.000000 Sn\n0.500086 0.500000 0.166691 Sn\n0.000107 0.000000 0.333311 Sn\n0.500000 0.500000 0.500000 Sn\n0.999893 0.000000 0.666689 Sn\n0.499914 0.500000 0.833309 Sn\n0.000000 0.500000 0.000000 Zr\n0.500070 0.000000 0.166662 Zr\n0.000000 0.500000 0.333339 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.666662 Zr\n0.499930 0.000000 0.833338 Zr\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rh",
"Sn",
"Zr"
],
"chemical_system": "Rh-Sn-Zr",
"density": 9.98562910699434,
"density_atomic": 0.05785745019687966,
"volume": 414.812611311626,
"volume_molar": 10.408583059757417,
"formula_full": "Zr6 Sn6 Rh12",
"formula_reduced": "ZrSnRh2",
"formula_anonymous": "ABC2",
"formation_energy": -0.8081112154628,
"spacegroup": 139
},
{
"id": "oqmd-1015915",
"created_at": "2022-09-04T15:28:32.891763Z",
"updated_at": "2022-09-04T15:28:32.891782Z",
"structure_string": "Zr6 Sn6 Rh12\n1.0\n4.620829 0.000000 0.000000\n0.000000 6.535532 0.000000\n0.000000 0.000000 13.862305\nRh Sn Zr\n12 6 6\ndirect\n0.500001 0.250081 0.000000 Rh\n0.500001 0.749918 0.000000 Rh\n0.000485 0.249752 0.166673 Rh\n0.000485 0.750248 0.166673 Rh\n0.500486 0.250247 0.333326 Rh\n0.500486 0.749752 0.333326 Rh\n0.000000 0.249920 0.500000 Rh\n0.000000 0.750081 0.500000 Rh\n0.499514 0.250247 0.666673 Rh\n0.499514 0.749752 0.666673 Rh\n0.999516 0.249752 0.833327 Rh\n0.999516 0.750248 0.833327 Rh\n0.000000 0.500001 0.000000 Sn\n0.501451 0.000000 0.166651 Sn\n0.001450 0.500001 0.333349 Sn\n0.500001 0.000000 0.500000 Sn\n0.998548 0.500001 0.666651 Sn\n0.498551 0.000000 0.833349 Sn\n0.000000 0.000000 0.000000 Zr\n0.499510 0.500001 0.166656 Zr\n0.999509 0.000000 0.333344 Zr\n0.500001 0.500001 0.500000 Zr\n0.000489 0.000000 0.666656 Zr\n0.500488 0.500001 0.833345 Zr\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rh",
"Sn",
"Zr"
],
"chemical_system": "Rh-Sn-Zr",
"density": 9.894437056217651,
"density_atomic": 0.05732907692368569,
"volume": 418.63573055515786,
"volume_molar": 10.50451373570247,
"formula_full": "Zr6 Sn6 Rh12",
"formula_reduced": "ZrSnRh2",
"formula_anonymous": "ABC2",
"formation_energy": -0.773780123796134,
"spacegroup": 225
},
{
"id": "oqmd-1015250",
"created_at": "2022-09-04T15:27:41.686576Z",
"updated_at": "2022-09-04T15:27:41.686595Z",
"structure_string": "Zr6 Sn6 Pd12\n1.0\n4.722868 0.000000 -0.000000\n0.000000 6.534941 0.000000\n-0.000001 0.000000 14.156942\nPd Sn Zr\n12 6 6\ndirect\n0.499999 0.249891 0.000000 Pd\n0.499999 0.750109 0.000000 Pd\n0.000195 0.250036 0.166712 Pd\n0.000195 0.749964 0.166712 Pd\n0.500194 0.249964 0.333291 Pd\n0.500194 0.750036 0.333291 Pd\n0.000000 0.250109 0.500000 Pd\n0.000000 0.749890 0.500000 Pd\n0.499807 0.249964 0.666710 Pd\n0.499807 0.750036 0.666710 Pd\n0.999806 0.250036 0.833288 Pd\n0.999806 0.749964 0.833288 Pd\n0.000000 0.000000 0.000000 Sn\n0.500164 0.500000 0.166648 Sn\n0.000165 0.000000 0.333352 Sn\n0.499999 0.500000 0.500000 Sn\n0.999835 0.000000 0.666648 Sn\n0.499834 0.500000 0.833352 Sn\n0.000000 0.500000 0.000000 Zr\n0.500162 0.000000 0.166655 Zr\n0.000161 0.500000 0.333347 Zr\n0.499999 0.000000 0.500000 Zr\n0.999838 0.500000 0.666653 Zr\n0.499838 0.000000 0.833345 Zr\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pd",
"Sn",
"Zr"
],
"chemical_system": "Pd-Sn-Zr",
"density": 9.640325269493335,
"density_atomic": 0.05492806630978868,
"volume": 436.93509734426937,
"volume_molar": 10.963686079964551,
"formula_full": "Zr6 Sn6 Pd12",
"formula_reduced": "ZrSnPd2",
"formula_anonymous": "ABC2",
"formation_energy": -0.756311072546134,
"spacegroup": 225
},
{
"id": "oqmd-1015907",
"created_at": "2022-09-04T15:28:34.580458Z",
"updated_at": "2022-09-04T15:28:34.580481Z",
"structure_string": "Zr6 Sn6 Pd12\n1.0\n4.690040 0.000000 0.000000\n0.000000 6.639403 0.000000\n0.000000 0.000000 14.063007\nPd Sn Zr\n12 6 6\ndirect\n0.500000 0.250007 0.000000 Pd\n0.500000 0.749992 0.000000 Pd\n0.000000 0.249450 0.166650 Pd\n0.000000 0.750548 0.166650 Pd\n0.499974 0.250550 0.333350 Pd\n0.499974 0.749451 0.333350 Pd\n0.000000 0.249994 0.500000 Pd\n0.000000 0.750006 0.500000 Pd\n0.500024 0.250550 0.666650 Pd\n0.500024 0.749451 0.666650 Pd\n0.000000 0.249450 0.833350 Pd\n0.000000 0.750548 0.833350 Pd\n0.000000 0.500001 0.000000 Sn\n0.499488 0.000000 0.166789 Sn\n0.999488 0.500001 0.333211 Sn\n0.500000 0.000000 0.500000 Sn\n0.000514 0.500001 0.666788 Sn\n0.500512 0.000000 0.833211 Sn\n0.000000 0.000000 0.000000 Zr\n0.500070 0.500001 0.166667 Zr\n0.000000 0.000000 0.333333 Zr\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.666667 Zr\n0.499930 0.500001 0.833333 Zr\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pd",
"Sn",
"Zr"
],
"chemical_system": "Pd-Sn-Zr",
"density": 9.618887576399631,
"density_atomic": 0.054805919909655665,
"volume": 437.9088981548451,
"volume_molar": 10.988120936437424,
"formula_full": "Zr6 Sn6 Pd12",
"formula_reduced": "ZrSnPd2",
"formula_anonymous": "ABC2",
"formation_energy": -0.756395885879467,
"spacegroup": 225
},
{
"id": "oqmd-91519",
"created_at": "2022-09-04T15:16:20.679676Z",
"updated_at": "2022-09-04T15:16:20.679692Z",
"structure_string": "Zr6 Sn6 Ir6\n1.0\n7.399307 0.000059 0.000000\n-3.699602 6.408018 0.000000\n0.000000 0.000000 7.389273\nIr Sn Zr\n6 6 6\ndirect\n0.333387 0.666696 0.037251 Ir\n0.000000 0.000000 0.250000 Ir\n0.333387 0.666696 0.462749 Ir\n0.666696 0.333387 0.537252 Ir\n0.000000 0.000000 0.749999 Ir\n0.666696 0.333387 0.962748 Ir\n0.729546 0.000000 0.000000 Sn\n0.270459 0.270459 0.000000 Sn\n0.000000 0.729547 0.000000 Sn\n0.000000 0.729547 0.499999 Sn\n0.729546 0.000000 0.500000 Sn\n0.270459 0.270459 0.500000 Sn\n0.405953 0.020427 0.250000 Zr\n0.979576 0.385528 0.250000 Zr\n0.614477 0.594049 0.250000 Zr\n0.020426 0.405952 0.749999 Zr\n0.594049 0.614478 0.749999 Zr\n0.385528 0.979575 0.749999 Zr\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ir",
"Sn",
"Zr"
],
"chemical_system": "Ir-Sn-Zr",
"density": 11.43591766018647,
"density_atomic": 0.05137525896482589,
"volume": 350.36319743563166,
"volume_molar": 11.72186940045025,
"formula_full": "Zr6 Sn6 Ir6",
"formula_reduced": "ZrSnIr",
"formula_anonymous": "ABC",
"formation_energy": -0.773414446728177,
"spacegroup": 190
},
{
"id": "oqmd-24958",
"created_at": "2022-09-04T15:15:44.231191Z",
"updated_at": "2022-09-04T15:15:44.231226Z",
"structure_string": "Zr6 Sn6 Ir6\n1.0\n7.399314 0.000059 0.000000\n-3.699606 6.408024 0.000000\n0.000000 0.000000 7.389274\nIr Sn Zr\n6 6 6\ndirect\n0.333386 0.666695 0.037251 Ir\n0.000000 0.000000 0.250000 Ir\n0.333386 0.666695 0.462749 Ir\n0.666696 0.333387 0.537252 Ir\n0.000000 0.000000 0.750001 Ir\n0.666696 0.333387 0.962748 Ir\n0.729544 0.000000 0.000000 Sn\n0.270462 0.270462 0.000000 Sn\n0.000000 0.729543 0.000000 Sn\n0.000000 0.729543 0.499999 Sn\n0.729544 0.000000 0.500000 Sn\n0.270462 0.270462 0.500000 Sn\n0.405928 0.020425 0.250000 Zr\n0.979577 0.385505 0.250000 Zr\n0.614502 0.594075 0.250000 Zr\n0.020425 0.405927 0.750001 Zr\n0.594075 0.614502 0.750001 Zr\n0.385504 0.979576 0.750001 Zr\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ir",
"Sn",
"Zr"
],
"chemical_system": "Ir-Sn-Zr",
"density": 11.435894586093328,
"density_atomic": 0.05137515530567533,
"volume": 350.36390436004325,
"volume_molar": 11.721893051551989,
"formula_full": "Zr6 Sn6 Ir6",
"formula_reduced": "ZrSnIr",
"formula_anonymous": "ABC",
"formation_energy": -0.773415458950401,
"spacegroup": 190
},
{
"id": "oqmd-757958",
"created_at": "2022-09-04T15:24:18.670639Z",
"updated_at": "2022-09-04T15:24:18.670661Z",
"structure_string": "Zr6 Sn6\n1.0\n5.571574 -0.000056 0.000000\n-0.000102 9.569879 0.000000\n0.000000 0.000000 5.201966\nSn Zr\n6 6\ndirect\n0.440854 0.188902 0.000000 Sn\n0.940845 0.977741 0.000000 Sn\n0.406054 0.013969 0.499999 Sn\n0.906050 0.152677 0.499999 Sn\n0.837395 0.494830 0.499999 Sn\n0.337387 0.671858 0.499999 Sn\n0.951191 0.322165 0.000000 Zr\n0.522878 0.521558 0.000000 Zr\n0.022885 0.645123 0.000000 Zr\n0.451186 0.844508 0.000000 Zr\n0.341608 0.344511 0.499999 Zr\n0.841607 0.822155 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Zr"
],
"chemical_system": "Sn-Zr",
"density": 7.54104043665218,
"density_atomic": 0.04326427067751305,
"volume": 277.36512859413796,
"volume_molar": 13.919432052578331,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"formation_energy": -0.332631602592269,
"spacegroup": 26
},
{
"id": "oqmd-757961",
"created_at": "2022-09-04T15:24:18.682347Z",
"updated_at": "2022-09-04T15:24:18.682365Z",
"structure_string": "Zr6 Sn6\n1.0\n8.219058 -1.514414 0.000000\n0.026804 6.197632 0.000000\n0.000000 0.000000 5.534020\nSn Zr\n6 6\ndirect\n0.720363 0.172432 0.000000 Sn\n0.347482 0.335900 0.000000 Sn\n0.353034 0.836887 0.000000 Sn\n0.541395 0.386353 0.500000 Sn\n0.168487 0.549747 0.500000 Sn\n0.535841 0.885410 0.500000 Sn\n0.022540 0.508618 0.000000 Zr\n0.674583 0.658338 0.000000 Zr\n0.026374 0.994022 0.000000 Zr\n0.214297 0.063873 0.500000 Zr\n0.866333 0.213567 0.500000 Zr\n0.862477 0.728163 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Zr"
],
"chemical_system": "Sn-Zr",
"density": 7.413932508459438,
"density_atomic": 0.04253503021569821,
"volume": 282.1204061486999,
"volume_molar": 14.158073309132003,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"formation_energy": -0.271307646758935,
"spacegroup": 11
},
{
"id": "oqmd-757940",
"created_at": "2022-09-04T15:22:47.076633Z",
"updated_at": "2022-09-04T15:22:47.076655Z",
"structure_string": "Zr6 Sn6\n1.0\n8.329250 -1.307069 0.000000\n0.173932 6.121411 0.000000\n0.000000 0.000000 5.471973\nSn Zr\n6 6\ndirect\n0.692971 0.134958 0.000000 Sn\n0.316025 0.297099 0.000000 Sn\n0.693195 0.628282 0.000000 Sn\n0.529030 0.427272 0.500001 Sn\n0.906177 0.758421 0.500001 Sn\n0.529243 0.920661 0.500001 Sn\n0.002656 0.452801 0.000000 Zr\n0.375182 0.809308 0.000000 Zr\n0.022576 0.955248 0.000000 Zr\n0.199604 0.100314 0.500001 Zr\n0.846998 0.246197 0.500001 Zr\n0.219547 0.602749 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Zr"
],
"chemical_system": "Sn-Zr",
"density": 7.463621486367735,
"density_atomic": 0.0428201045907758,
"volume": 280.2421926495016,
"volume_molar": 14.063816091886132,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"formation_energy": -0.304228863425602,
"spacegroup": 11
},
{
"id": "oqmd-757936",
"created_at": "2022-09-04T15:22:46.227074Z",
"updated_at": "2022-09-04T15:22:46.227101Z",
"structure_string": "Zr6 Sn6\n1.0\n5.461258 0.000004 0.000000\n0.000005 9.581284 0.000000\n0.000000 0.000000 5.300612\nSn Zr\n6 6\ndirect\n0.479702 0.164888 0.000000 Sn\n0.979704 0.668445 0.000000 Sn\n0.874167 0.141074 0.500001 Sn\n0.318692 0.352256 0.500001 Sn\n0.818692 0.481077 0.500001 Sn\n0.374166 0.692259 0.500001 Sn\n0.001769 0.327812 0.000000 Zr\n0.501769 0.505522 0.000000 Zr\n0.446471 0.835748 0.000000 Zr\n0.946473 0.997585 0.000000 Zr\n0.379167 0.011440 0.500001 Zr\n0.879167 0.821894 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Zr"
],
"chemical_system": "Sn-Zr",
"density": 7.541204290065267,
"density_atomic": 0.04326521073326196,
"volume": 277.3591020735395,
"volume_molar": 13.919129614617187,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"formation_energy": -0.337289507592268,
"spacegroup": 26
},
{
"id": "oqmd-757934",
"created_at": "2022-09-04T15:24:19.547747Z",
"updated_at": "2022-09-04T15:24:19.547785Z",
"structure_string": "Zr6 Sn6\n1.0\n7.746364 -1.825539 0.000000\n-0.065722 6.997500 0.000000\n0.000000 0.000000 5.193190\nSn Zr\n6 6\ndirect\n0.324945 0.304700 0.000000 Sn\n0.945946 0.502185 0.000000 Sn\n0.313029 0.844844 0.000000 Sn\n0.909206 0.210741 0.500001 Sn\n0.276289 0.553374 0.500001 Sn\n0.897257 0.750851 0.500001 Sn\n0.649284 0.158726 0.000000 Zr\n0.625688 0.661179 0.000000 Zr\n0.983174 0.992260 0.000000 Zr\n0.238993 0.063263 0.500001 Zr\n0.596490 0.394337 0.500001 Zr\n0.572907 0.896854 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Zr"
],
"chemical_system": "Sn-Zr",
"density": 7.446812930408403,
"density_atomic": 0.04272367095925884,
"volume": 280.8747406430305,
"volume_molar": 14.095560200673523,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"formation_energy": -0.285487185092268,
"spacegroup": 11
}
]
}