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=-chemical_system&page=7",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=5",
"results": [
{
"id": "oqmd-758426",
"created_at": "2022-09-04T15:22:05.558761Z",
"updated_at": "2022-09-04T15:22:05.558789Z",
"structure_string": "Zr4 Zn4\n1.0\n10.339973 0.000000 0.000000\n0.000000 3.109833 0.000000\n0.000000 0.000000 4.720537\nZn Zr\n4 4\ndirect\n0.481785 0.000000 0.000000 Zn\n0.270467 0.500001 0.000000 Zn\n0.646058 0.000000 0.499998 Zn\n0.434994 0.500001 0.499998 Zn\n0.010551 0.000000 0.000000 Zr\n0.717508 0.500001 0.000000 Zr\n0.199230 0.000000 0.499998 Zr\n0.906103 0.500001 0.499998 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.85400593824251,
"density_atomic": 0.05270382172880082,
"volume": 151.79164883271218,
"volume_molar": 11.42638344328853,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0740027949999993,
"spacegroup": 59
},
{
"id": "oqmd-311815",
"created_at": "2022-09-04T14:50:31.734551Z",
"updated_at": "2022-09-04T14:50:31.734572Z",
"structure_string": "Zr1 Zn3\n1.0\n0.000000 3.169705 3.169705\n3.169705 0.000000 3.169705\n3.169705 3.169705 0.000000\nZn Zr\n3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250001 0.250001 0.250001 Zn\n0.499999 0.499999 0.499999 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.494219185467128,
"density_atomic": 0.06280199802647683,
"volume": 63.692241102164154,
"volume_molar": 9.589091030927252,
"formula_full": "Zr1 Zn3",
"formula_reduced": "ZrZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.1417265275,
"spacegroup": 225
},
{
"id": "oqmd-760782",
"created_at": "2022-09-04T15:24:53.124779Z",
"updated_at": "2022-09-04T15:24:53.124808Z",
"structure_string": "Zr6 Zn6\n1.0\n6.805973 -1.814296 0.000000\n-0.019968 7.199109 0.000000\n0.000000 0.000000 4.624330\nZn Zr\n6 6\ndirect\n0.648848 0.127806 0.000000 Zn\n0.615963 0.689509 0.000000 Zn\n0.951758 0.992131 0.000000 Zn\n0.270403 0.063426 0.499999 Zn\n0.606131 0.366022 0.499999 Zn\n0.573338 0.927734 0.499999 Zn\n0.325458 0.313562 0.000000 Zr\n0.943150 0.485079 0.000000 Zr\n0.275421 0.838103 0.000000 Zr\n0.946813 0.217441 0.499999 Zr\n0.279118 0.570471 0.499999 Zr\n0.896804 0.742026 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.892663175128798,
"density_atomic": 0.05300107623072867,
"volume": 226.41049679369917,
"volume_molar": 11.36229901027654,
"formula_full": "Zr6 Zn6",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.115252859166667,
"spacegroup": 11
},
{
"id": "oqmd-758412",
"created_at": "2022-09-04T15:22:56.597232Z",
"updated_at": "2022-09-04T15:22:56.597253Z",
"structure_string": "Zr12 Zn12\n1.0\n13.409471 0.000056 0.000000\n0.000053 7.288961 0.000000\n0.000000 0.000000 4.642317\nZn Zr\n12 12\ndirect\n0.649759 0.033603 0.000000 Zn\n0.474068 0.209327 0.000000 Zn\n0.974065 0.540685 0.000000 Zn\n0.149767 0.716408 0.000000 Zn\n0.499373 0.795122 0.000000 Zn\n0.999373 0.954884 0.000000 Zn\n0.794674 0.033591 0.500000 Zn\n0.970375 0.209315 0.500000 Zn\n0.470373 0.540674 0.500000 Zn\n0.294681 0.716398 0.500000 Zn\n0.945067 0.795114 0.500000 Zn\n0.445068 0.954879 0.500000 Zn\n0.840760 0.233682 0.000000 Zr\n0.137381 0.262179 0.000000 Zr\n0.637368 0.487822 0.000000 Zr\n0.340757 0.516326 0.000000 Zr\n0.804745 0.769842 0.000000 Zr\n0.304758 0.980157 0.000000 Zr\n0.603684 0.233673 0.500000 Zr\n0.307073 0.262179 0.500000 Zr\n0.807059 0.487820 0.500000 Zr\n0.103681 0.516317 0.500000 Zr\n0.639683 0.769844 0.500000 Zr\n0.139695 0.980156 0.500000 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.8786235908499,
"density_atomic": 0.05289311896403695,
"volume": 453.74522187504317,
"volume_molar": 11.385489980453922,
"formula_full": "Zr12 Zn12",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.1292255275,
"spacegroup": 57
},
{
"id": "oqmd-1236199",
"created_at": "2022-09-04T15:39:31.386251Z",
"updated_at": "2022-09-04T15:39:31.386268Z",
"structure_string": "Zr2 Zn2\n1.0\n4.783673 0.000000 0.000000\n0.000000 3.232338 0.000000\n0.000000 0.000000 4.749447\nZn Zr\n2 2\ndirect\n0.431202 0.500003 0.000000 Zn\n0.902133 0.500003 0.499999 Zn\n0.925887 0.000000 0.000000 Zr\n0.407446 0.000000 0.499999 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.083388482022172,
"density_atomic": 0.0544676568938112,
"volume": 73.43807734924785,
"volume_molar": 11.056360973523454,
"formula_full": "Zr2 Zn2",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.275056922499999,
"spacegroup": 51
},
{
"id": "oqmd-760792",
"created_at": "2022-09-04T15:22:08.141568Z",
"updated_at": "2022-09-04T15:22:08.141600Z",
"structure_string": "Zr4 Zn4\n1.0\n5.241904 -3.026807 0.000000\n-0.000340 6.053025 0.000000\n0.000000 0.000000 4.903700\nZn Zr\n4 4\ndirect\n0.510377 0.020782 0.000000 Zn\n0.510396 0.489603 0.000000 Zn\n0.979220 0.489621 0.000000 Zn\n0.333353 0.666645 0.500000 Zn\n0.000000 0.000000 0.000000 Zr\n0.332491 0.166201 0.500000 Zr\n0.833778 0.166222 0.500000 Zr\n0.833800 0.667511 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.686841320571315,
"density_atomic": 0.051418410789783604,
"volume": 155.5862944249053,
"volume_molar": 11.712032066919786,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": 0.0149809350000005,
"spacegroup": 187
},
{
"id": "oqmd-758428",
"created_at": "2022-09-04T15:21:55.263597Z",
"updated_at": "2022-09-04T15:21:55.263616Z",
"structure_string": "Zr5 Zn1\n1.0\n2.719402 4.709989 0.000000\n-2.719402 4.709989 0.000000\n0.000000 0.000000 5.119751\nZn Zr\n1 5\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333358 0.333285 0.000000 Zr\n0.666715 0.666641 0.000000 Zr\n0.680985 0.000000 0.499999 Zr\n0.000000 0.319015 0.499999 Zr\n0.318973 0.681027 0.499999 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.603214717797676,
"density_atomic": 0.045748737093611345,
"volume": 131.15116134731247,
"volume_molar": 13.16351257451645,
"formula_full": "Zr5 Zn1",
"formula_reduced": "Zr5Zn",
"formula_anonymous": "AB5",
"formation_energy": -0.0245761566666675,
"spacegroup": 189
},
{
"id": "oqmd-760797",
"created_at": "2022-09-04T15:24:51.738873Z",
"updated_at": "2022-09-04T15:24:51.738898Z",
"structure_string": "Zr4 Zn8\n1.0\n14.309457 0.000000 0.000000\n0.000000 3.121339 0.000000\n0.000000 0.000000 4.627179\nZn Zr\n8 4\ndirect\n0.333667 0.000000 0.000000 Zn\n0.982636 0.000000 0.000000 Zn\n0.482638 0.499997 0.000000 Zn\n0.833670 0.499997 0.000000 Zn\n0.110769 0.000000 0.500000 Zn\n0.461802 0.000000 0.500000 Zn\n0.610774 0.499997 0.500000 Zn\n0.961804 0.499997 0.500000 Zn\n0.652209 0.000000 0.000000 Zr\n0.152209 0.499997 0.000000 Zr\n0.792231 0.000000 0.500000 Zr\n0.292231 0.499997 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.136147635727402,
"density_atomic": 0.05806318475064558,
"volume": 206.67140549617505,
"volume_molar": 10.371702458041696,
"formula_full": "Zr4 Zn8",
"formula_reduced": "ZrZn2",
"formula_anonymous": "AB2",
"formation_energy": -0.130172295833333,
"spacegroup": 63
},
{
"id": "oqmd-758440",
"created_at": "2022-09-04T15:24:23.036451Z",
"updated_at": "2022-09-04T15:24:23.036480Z",
"structure_string": "Zr8 Zn4\n1.0\n15.612792 0.000000 0.000000\n0.000000 3.169047 0.000000\n0.000000 0.000000 4.908432\nZn Zr\n4 8\ndirect\n0.283835 0.000000 0.000000 Zn\n0.784028 0.500002 0.000000 Zn\n0.160412 0.000000 0.499999 Zn\n0.660606 0.500002 0.499999 Zn\n0.631644 0.000000 0.000000 Zr\n0.944070 0.000000 0.000000 Zr\n0.131431 0.500002 0.000000 Zr\n0.444004 0.500002 0.000000 Zr\n0.500437 0.000000 0.499999 Zr\n0.813009 0.000000 0.499999 Zr\n0.000370 0.500002 0.499999 Zr\n0.312797 0.500002 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.778884660671654,
"density_atomic": 0.04941163368774402,
"volume": 242.85778680854386,
"volume_molar": 12.187698140192683,
"formula_full": "Zr8 Zn4",
"formula_reduced": "Zr2Zn",
"formula_anonymous": "AB2",
"formation_energy": -0.14404283,
"spacegroup": 63
},
{
"id": "oqmd-760808",
"created_at": "2022-09-04T15:24:52.182220Z",
"updated_at": "2022-09-04T15:24:52.182245Z",
"structure_string": "Zr4 Zn8\n1.0\n14.480998 0.000000 0.000000\n0.000000 3.064438 0.000000\n0.000000 0.000000 4.689868\nZn Zr\n8 4\ndirect\n0.659060 0.000000 0.000000 Zn\n0.999550 0.000000 0.000000 Zn\n0.159061 0.500000 0.000000 Zn\n0.499548 0.500000 0.000000 Zn\n0.444892 0.000000 0.499999 Zn\n0.785380 0.000000 0.499999 Zn\n0.285381 0.500000 0.499999 Zn\n0.944890 0.500000 0.499999 Zn\n0.326849 0.000000 0.000000 Zr\n0.826849 0.500000 0.000000 Zr\n0.117591 0.000000 0.499999 Zr\n0.617591 0.500000 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.0865403993274985,
"density_atomic": 0.05765955603118973,
"volume": 208.11814772747906,
"volume_molar": 10.444306502711274,
"formula_full": "Zr4 Zn8",
"formula_reduced": "ZrZn2",
"formula_anonymous": "AB2",
"formation_energy": -0.104734380833333,
"spacegroup": 63
},
{
"id": "oqmd-748485",
"created_at": "2022-09-04T15:21:43.652495Z",
"updated_at": "2022-09-04T15:21:43.652510Z",
"structure_string": "Zr2 Zn2\n1.0\n0.000000 3.394051 3.394051\n3.394051 0.000000 3.394051\n3.394051 3.394051 0.000000\nZn Zr\n2 2\ndirect\n0.250001 0.250001 0.250001 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.6523834117987075,
"density_atomic": 0.051153446986503856,
"volume": 78.19609890718304,
"volume_molar": 11.772697862548462,
"formula_full": "Zr2 Zn2",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": 0.21899519,
"spacegroup": 227
},
{
"id": "oqmd-1236101",
"created_at": "2022-09-04T15:39:31.150231Z",
"updated_at": "2022-09-04T15:39:31.150257Z",
"structure_string": "Zr1 Zn1\n1.0\n2.572576 -1.485278 0.000000\n0.000000 2.970556 0.000000\n0.000000 0.000000 4.999094\nZn Zr\n1 1\ndirect\n0.666670 0.333335 0.500001 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.8082438559717415,
"density_atomic": 0.05235193457730591,
"volume": 38.20298172642854,
"volume_molar": 11.503186670413026,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.0305719449999993,
"spacegroup": 187
}
]
}