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=96",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=94",
"results": [
{
"id": "oqmd-756398",
"created_at": "2022-09-04T15:24:14.088744Z",
"updated_at": "2022-09-04T15:24:14.088759Z",
"structure_string": "Zr6 Bi6\n1.0\n7.553972 -1.997333 0.000000\n-0.047574 7.844309 0.000000\n0.000000 0.000000 5.182769\nBi Zr\n6 6\ndirect\n0.322784 0.300346 0.000000 Bi\n0.918369 0.498866 0.000000 Bi\n0.308403 0.855241 0.000000 Bi\n0.913823 0.200257 0.499999 Bi\n0.303860 0.556779 0.499999 Bi\n0.899376 0.755143 0.499999 Bi\n0.642416 0.152225 0.000000 Zr\n0.604981 0.661039 0.000000 Zr\n0.968907 0.983944 0.000000 Zr\n0.253271 0.071569 0.499999 Zr\n0.617210 0.394517 0.499999 Zr\n0.579805 0.903381 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Zr"
],
"chemical_system": "Bi-Zr",
"density": 9.75489208097329,
"density_atomic": 0.03913689021915175,
"volume": 306.6160835162055,
"volume_molar": 15.387376785120876,
"formula_full": "Zr6 Bi6",
"formula_reduced": "ZrBi",
"formula_anonymous": "AB",
"formation_energy": -0.2152611825,
"spacegroup": 11
},
{
"id": "oqmd-756400",
"created_at": "2022-09-04T15:24:14.181090Z",
"updated_at": "2022-09-04T15:24:14.181120Z",
"structure_string": "Zr6 Bi6\n1.0\n5.619311 -0.000035 0.000000\n-0.000034 9.961697 0.000000\n0.000000 0.000000 5.455386\nBi Zr\n6 6\ndirect\n0.440281 0.142904 0.000000 Bi\n0.940306 0.690470 0.000000 Bi\n0.891445 0.136256 0.499999 Bi\n0.348621 0.344941 0.499999 Bi\n0.848616 0.488353 0.499999 Bi\n0.391438 0.697047 0.499999 Bi\n0.928221 0.004278 0.000000 Zr\n0.990586 0.329077 0.000000 Zr\n0.490602 0.504272 0.000000 Zr\n0.428235 0.829068 0.000000 Zr\n0.400798 0.007074 0.499999 Zr\n0.900793 0.826258 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Zr"
],
"chemical_system": "Bi-Zr",
"density": 9.79434775035499,
"density_atomic": 0.03929518742923843,
"volume": 305.3809075630249,
"volume_molar": 15.325390089675706,
"formula_full": "Zr6 Bi6",
"formula_reduced": "ZrBi",
"formula_anonymous": "AB",
"formation_energy": -0.196540309166667,
"spacegroup": 26
},
{
"id": "oqmd-756422",
"created_at": "2022-09-04T15:24:14.320714Z",
"updated_at": "2022-09-04T15:24:14.320745Z",
"structure_string": "Zr6 Bi6\n1.0\n5.700804 0.000439 0.000000\n0.000744 10.004763 0.000000\n0.000000 0.000000 5.344781\nBi Zr\n6 6\ndirect\n0.443667 0.219888 0.000000 Bi\n0.943726 0.946639 0.000000 Bi\n0.398306 0.004580 0.500000 Bi\n0.898242 0.162185 0.500000 Bi\n0.838069 0.490589 0.500000 Bi\n0.338027 0.676115 0.500000 Bi\n0.949675 0.318319 0.000000 Zr\n0.533557 0.535494 0.000000 Zr\n0.033559 0.631172 0.000000 Zr\n0.449771 0.848356 0.000000 Zr\n0.336727 0.359021 0.500000 Zr\n0.836615 0.807643 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Zr"
],
"chemical_system": "Bi-Zr",
"density": 9.811707069305921,
"density_atomic": 0.039364833485229865,
"volume": 304.84061375497845,
"volume_molar": 15.298275711643937,
"formula_full": "Zr6 Bi6",
"formula_reduced": "ZrBi",
"formula_anonymous": "AB",
"formation_energy": -0.212267725,
"spacegroup": 26
},
{
"id": "oqmd-756425",
"created_at": "2022-09-04T15:24:14.501102Z",
"updated_at": "2022-09-04T15:24:14.501126Z",
"structure_string": "Zr6 Bi6\n1.0\n8.894423 -2.001218 0.000000\n-0.319307 6.363014 0.000000\n0.000000 0.000000 5.558804\nBi Zr\n6 6\ndirect\n0.739563 0.240604 0.000000 Bi\n0.332769 0.378436 0.000000 Bi\n0.338956 0.893752 0.000000 Bi\n0.556126 0.343784 0.500000 Bi\n0.149316 0.481606 0.500000 Bi\n0.549862 0.828445 0.500000 Bi\n0.016893 0.042075 0.000000 Zr\n0.031667 0.580320 0.000000 Zr\n0.677710 0.714569 0.000000 Zr\n0.211168 0.007652 0.500000 Zr\n0.857186 0.141896 0.500000 Zr\n0.871991 0.680173 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Zr"
],
"chemical_system": "Bi-Zr",
"density": 9.615830005696553,
"density_atomic": 0.03857896942119967,
"volume": 311.0502996849324,
"volume_molar": 15.60990573452372,
"formula_full": "Zr6 Bi6",
"formula_reduced": "ZrBi",
"formula_anonymous": "AB",
"formation_energy": -0.152787791666667,
"spacegroup": 11
},
{
"id": "oqmd-1368987",
"created_at": "2022-09-04T15:49:00.377899Z",
"updated_at": "2022-09-04T15:49:00.377916Z",
"structure_string": "Zr6 Bi2 Ru1\n1.0\n8.021609 0.000000 0.000000\n-4.010805 6.946917 0.000000\n0.000000 0.000000 3.664535\nBi Ru Zr\n2 1 6\ndirect\n0.666666 0.333333 0.000000 Bi\n0.333333 0.666667 0.000000 Bi\n0.000000 0.000000 0.500001 Ru\n0.244794 0.000000 0.000000 Zr\n0.000000 0.244793 0.000000 Zr\n0.755206 0.755207 0.000000 Zr\n0.604846 0.000000 0.500001 Zr\n0.395153 0.395154 0.500001 Zr\n0.000000 0.604847 0.500001 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Ru",
"Zr"
],
"chemical_system": "Bi-Ru-Zr",
"density": 8.671345643181732,
"density_atomic": 0.04407273845359937,
"volume": 204.20786898629805,
"volume_molar": 13.664094792612506,
"formula_full": "Zr6 Bi2 Ru1",
"formula_reduced": "Zr6Bi2Ru",
"formula_anonymous": "AB2C6",
"formation_energy": -0.381774988888888,
"spacegroup": 189
},
{
"id": "oqmd-1376523",
"created_at": "2022-09-04T15:49:11.950076Z",
"updated_at": "2022-09-04T15:49:11.950109Z",
"structure_string": "Zr6 Bi2 Rh1\n1.0\n8.008939 0.000000 0.000000\n-4.004469 6.935944 0.000000\n0.000000 0.000000 3.680984\nBi Rh Zr\n2 1 6\ndirect\n0.666667 0.333333 0.500000 Bi\n0.333333 0.666666 0.500000 Bi\n0.000000 0.000000 0.000000 Rh\n0.602993 0.000000 0.000000 Zr\n0.397007 0.397007 0.000000 Zr\n0.000000 0.602992 0.000000 Zr\n0.245230 0.000000 0.500000 Zr\n0.000000 0.245230 0.500000 Zr\n0.754769 0.754770 0.500000 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Rh",
"Zr"
],
"chemical_system": "Bi-Rh-Zr",
"density": 8.674837837413664,
"density_atomic": 0.04401472733470107,
"volume": 204.47701360413583,
"volume_molar": 13.682103978983788,
"formula_full": "Zr6 Bi2 Rh1",
"formula_reduced": "Zr6Bi2Rh",
"formula_anonymous": "AB2C6",
"formation_energy": -0.452130767777777,
"spacegroup": 189
},
{
"id": "oqmd-1376491",
"created_at": "2022-09-04T15:49:11.878371Z",
"updated_at": "2022-09-04T15:49:11.878403Z",
"structure_string": "Zr6 Bi2 Pt1\n1.0\n7.987785 0.000000 0.000000\n-3.993892 6.917625 0.000000\n0.000000 0.000000 3.731612\nBi Pt Zr\n2 1 6\ndirect\n0.666666 0.333333 0.500001 Bi\n0.333333 0.666667 0.500001 Bi\n0.000000 0.000000 0.000000 Pt\n0.397816 0.000000 0.000000 Zr\n0.000000 0.397816 0.000000 Zr\n0.602184 0.602184 0.000000 Zr\n0.752135 0.000000 0.500001 Zr\n0.247866 0.247865 0.500001 Zr\n0.000000 0.752135 0.500001 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"Zr"
],
"chemical_system": "Bi-Pt-Zr",
"density": 9.344859206417448,
"density_atomic": 0.04364782889027195,
"volume": 206.19582299558277,
"volume_molar": 13.797114113371602,
"formula_full": "Zr6 Bi2 Pt1",
"formula_reduced": "Zr6Bi2Pt",
"formula_anonymous": "AB2C6",
"formation_energy": -0.523335215555554,
"spacegroup": 189
},
{
"id": "oqmd-1374958",
"created_at": "2022-09-04T15:49:11.737444Z",
"updated_at": "2022-09-04T15:49:11.737467Z",
"structure_string": "Zr6 Bi2 Pd1\n1.0\n7.992552 0.000000 0.000000\n-3.996276 6.921753 0.000000\n0.000000 0.000000 3.724978\nBi Pd Zr\n2 1 6\ndirect\n0.666667 0.333333 0.500000 Bi\n0.333333 0.666666 0.500000 Bi\n0.000000 0.000000 0.000000 Pd\n0.398660 0.000000 0.000000 Zr\n0.000000 0.398661 0.000000 Zr\n0.601340 0.601340 0.000000 Zr\n0.752036 0.000000 0.500000 Zr\n0.247963 0.247963 0.500000 Zr\n0.000000 0.752036 0.500000 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"Zr"
],
"chemical_system": "Bi-Pd-Zr",
"density": 8.635889918636197,
"density_atomic": 0.04367342271661348,
"volume": 206.07498657476134,
"volume_molar": 13.78902862520359,
"formula_full": "Zr6 Bi2 Pd1",
"formula_reduced": "Zr6Bi2Pd",
"formula_anonymous": "AB2C6",
"formation_energy": -0.405998983333333,
"spacegroup": 189
},
{
"id": "oqmd-1374211",
"created_at": "2022-09-04T15:49:10.652382Z",
"updated_at": "2022-09-04T15:49:10.652410Z",
"structure_string": "Zr6 Bi2 Os1\n1.0\n8.019971 0.000000 0.000000\n-4.009986 6.945499 0.000000\n0.000000 0.000000 3.683782\nBi Os Zr\n2 1 6\ndirect\n0.666667 0.333334 0.500000 Bi\n0.333333 0.666666 0.500000 Bi\n0.000000 0.000000 0.000000 Os\n0.607582 0.000000 0.000000 Zr\n0.392418 0.392418 0.000000 Zr\n0.000000 0.607582 0.000000 Zr\n0.245660 0.000000 0.500000 Zr\n0.000000 0.245660 0.500000 Zr\n0.754339 0.754339 0.500000 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Os",
"Zr"
],
"chemical_system": "Bi-Os-Zr",
"density": 9.3510839123873,
"density_atomic": 0.043860374640889856,
"volume": 205.1966056762666,
"volume_molar": 13.730253809518805,
"formula_full": "Zr6 Bi2 Os1",
"formula_reduced": "Zr6Bi2Os",
"formula_anonymous": "AB2C6",
"formation_energy": -0.374116447777779,
"spacegroup": 189
},
{
"id": "oqmd-1376516",
"created_at": "2022-09-04T15:49:12.763979Z",
"updated_at": "2022-09-04T15:49:12.764006Z",
"structure_string": "Zr6 Bi2 Ir1\n1.0\n8.005503 0.000000 0.000000\n-4.002752 6.932969 0.000000\n0.000000 0.000000 3.698435\nBi Ir Zr\n2 1 6\ndirect\n0.666666 0.333333 0.500001 Bi\n0.333333 0.666667 0.500001 Bi\n0.000000 0.000000 0.000000 Ir\n0.604550 0.000000 0.000000 Zr\n0.395450 0.395450 0.000000 Zr\n0.000000 0.604550 0.000000 Zr\n0.245634 0.000000 0.500001 Zr\n0.000000 0.245634 0.500001 Zr\n0.754366 0.754367 0.500001 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Bi",
"Ir",
"Zr"
],
"chemical_system": "Bi-Ir-Zr",
"density": 9.363805909072353,
"density_atomic": 0.043844652885083144,
"volume": 205.2701847951449,
"volume_molar": 13.73517718519527,
"formula_full": "Zr6 Bi2 Ir1",
"formula_reduced": "Zr6Bi2Ir",
"formula_anonymous": "AB2C6",
"formation_energy": -0.492356261111111,
"spacegroup": 189
},
{
"id": "oqmd-1481916",
"created_at": "2022-09-04T15:52:35.456538Z",
"updated_at": "2022-09-04T15:52:35.456571Z",
"structure_string": "Zr6 Bi2 H2\n1.0\n2.961231 -6.774816 0.000000\n2.961231 6.774816 0.000000\n-2.896815 0.000000 4.893117\nBi H Zr\n2 2 6\ndirect\n0.666720 0.333280 0.500000 Bi\n0.333280 0.666720 0.500000 Bi\n0.719406 0.719406 0.270184 H\n0.280594 0.280594 0.729816 H\n0.752739 0.247261 0.000000 Zr\n0.247261 0.752739 0.000000 Zr\n0.295972 0.295972 0.100226 Zr\n0.891094 0.108906 0.500000 Zr\n0.108906 0.891094 0.500000 Zr\n0.704028 0.704028 0.899774 Zr\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"H",
"Zr"
],
"chemical_system": "Bi-H-Zr",
"density": 8.181523501061328,
"density_atomic": 0.050934800827028816,
"volume": 196.329421881109,
"volume_molar": 11.823234138974623,
"formula_full": "Zr6 Bi2 H2",
"formula_reduced": "Zr3BiH",
"formula_anonymous": "ABC3",
"formation_energy": -0.3453627874368337,
"spacegroup": 12
},
{
"id": "oqmd-1366892",
"created_at": "2022-09-04T15:49:07.757695Z",
"updated_at": "2022-09-04T15:49:07.757719Z",
"structure_string": "Zr6 Bi2 Au1\n1.0\n7.946960 0.000000 0.000000\n-3.973480 6.882269 0.000000\n0.000000 0.000000 3.819773\nAu Bi Zr\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.500001 Bi\n0.333333 0.666667 0.500001 Bi\n0.400612 0.000000 0.000000 Zr\n0.000000 0.400612 0.000000 Zr\n0.599387 0.599388 0.000000 Zr\n0.748612 0.000000 0.500001 Zr\n0.251387 0.251388 0.500001 Zr\n0.000000 0.748612 0.500001 Zr\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Au",
"Bi",
"Zr"
],
"chemical_system": "Au-Bi-Zr",
"density": 9.238179832317414,
"density_atomic": 0.043079661718889856,
"volume": 208.91528951012214,
"volume_molar": 13.97908089273452,
"formula_full": "Zr6 Bi2 Au1",
"formula_reduced": "Zr6Bi2Au",
"formula_anonymous": "AB2C6",
"formation_energy": -0.378116369999999,
"spacegroup": 189
}
]
}