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=35",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=33",
"results": [
{
"id": "oqmd-758384",
"created_at": "2022-09-04T15:24:21.909074Z",
"updated_at": "2022-09-04T15:24:21.909109Z",
"structure_string": "Yb6 Zr6\n1.0\n5.725600 -0.000000 0.000000\n-0.000003 10.483110 0.000000\n0.000000 0.000000 5.473137\nYb Zr\n6 6\ndirect\n0.492628 0.156755 0.000000 Yb\n0.992630 0.676579 0.000000 Yb\n0.849265 0.159403 0.500000 Yb\n0.341488 0.331371 0.500000 Yb\n0.841495 0.501960 0.500000 Yb\n0.349272 0.673933 0.500000 Yb\n0.995749 0.339097 0.000000 Zr\n0.495749 0.494233 0.000000 Zr\n0.511898 0.842564 0.000000 Zr\n0.011900 0.990770 0.000000 Zr\n0.808937 0.858337 0.500000 Zr\n0.308934 0.974999 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 8.014766713620043,
"density_atomic": 0.03652866324937352,
"volume": 328.5091468603304,
"volume_molar": 16.486069361170184,
"formula_full": "Yb6 Zr6",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.285758215000001,
"spacegroup": 26
},
{
"id": "oqmd-758388",
"created_at": "2022-09-04T15:24:20.445027Z",
"updated_at": "2022-09-04T15:24:20.445063Z",
"structure_string": "Yb6 Zr6\n1.0\n9.356528 -1.590086 0.000000\n0.063839 6.700860 0.000000\n0.000000 0.000000 5.381985\nYb Zr\n6 6\ndirect\n0.712052 0.174799 0.000000 Yb\n0.326300 0.324689 0.000000 Yb\n0.685399 0.678933 0.000000 Yb\n0.536847 0.376709 0.500000 Yb\n0.895935 0.730834 0.500000 Yb\n0.510135 0.880802 0.500000 Yb\n0.023912 0.010499 0.000000 Zr\n0.022197 0.503059 0.000000 Zr\n0.296370 0.818464 0.000000 Zr\n0.198272 0.045021 0.500000 Zr\n0.925793 0.237047 0.500000 Zr\n0.199999 0.552455 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.7901895580144185,
"density_atomic": 0.035505114644187145,
"volume": 337.97947479560173,
"volume_molar": 16.961333093416552,
"formula_full": "Yb6 Zr6",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.2114386975,
"spacegroup": 11
},
{
"id": "oqmd-758393",
"created_at": "2022-09-04T15:22:02.930150Z",
"updated_at": "2022-09-04T15:22:02.930168Z",
"structure_string": "Yb4 Zr4\n1.0\n5.749582 0.000000 0.000000\n0.000000 6.935622 0.000000\n0.000000 0.000000 5.434695\nYb Zr\n4 4\ndirect\n0.996008 0.498767 0.000000 Yb\n0.496008 0.751233 0.000000 Yb\n0.837327 0.251232 0.500000 Yb\n0.337325 0.998768 0.500000 Yb\n0.479501 0.250985 0.000000 Zr\n0.979499 0.999017 0.000000 Zr\n0.353834 0.499015 0.500000 Zr\n0.853834 0.750984 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 8.09935116744985,
"density_atomic": 0.03691417129227521,
"volume": 216.71893801051166,
"volume_molar": 16.313899375712694,
"formula_full": "Yb4 Zr4",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.339501515,
"spacegroup": 62
},
{
"id": "oqmd-758411",
"created_at": "2022-09-04T15:22:02.853208Z",
"updated_at": "2022-09-04T15:22:02.853233Z",
"structure_string": "Yb2 Zr6\n1.0\n5.733226 0.000000 0.000000\n0.000000 6.539321 0.000000\n0.000000 0.000000 5.272128\nYb Zr\n2 6\ndirect\n0.012883 0.000000 0.000000 Yb\n0.320451 0.500000 0.499999 Yb\n0.510976 0.249397 0.000000 Zr\n0.979318 0.500000 0.000000 Zr\n0.510976 0.750604 0.000000 Zr\n0.354015 0.000000 0.499999 Zr\n0.822357 0.250604 0.499999 Zr\n0.822357 0.749397 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.505662781517693,
"density_atomic": 0.04047364546554638,
"volume": 197.65948700642952,
"volume_molar": 14.879165666276371,
"formula_full": "Yb2 Zr6",
"formula_reduced": "YbZr3",
"formula_anonymous": "AB3",
"formation_energy": 0.19839169125,
"spacegroup": 59
},
{
"id": "oqmd-758380",
"created_at": "2022-09-04T15:22:47.831535Z",
"updated_at": "2022-09-04T15:22:47.831562Z",
"structure_string": "Yb12 Zr12\n1.0\n16.710477 -0.001400 0.000000\n-0.000906 7.812951 0.000000\n0.000000 0.000000 5.316215\nYb Zr\n12 12\ndirect\n0.972712 0.014296 0.000000 Yb\n0.500066 0.274483 0.000000 Yb\n0.000210 0.475438 0.000000 Yb\n0.472606 0.735659 0.000000 Yb\n0.156196 0.769109 0.000000 Yb\n0.655882 0.980833 0.000000 Yb\n0.471835 0.014342 0.499999 Yb\n0.944230 0.274562 0.499999 Yb\n0.444373 0.475517 0.499999 Yb\n0.971729 0.735705 0.499999 Yb\n0.288558 0.769168 0.499999 Yb\n0.788244 0.980891 0.499999 Yb\n0.325405 0.054511 0.000000 Zr\n0.160767 0.219129 0.000000 Zr\n0.801707 0.311635 0.000000 Zr\n0.302034 0.438424 0.000000 Zr\n0.660532 0.531037 0.000000 Zr\n0.825124 0.695226 0.000000 Zr\n0.119316 0.054773 0.499999 Zr\n0.283909 0.218963 0.499999 Zr\n0.642406 0.311579 0.499999 Zr\n0.142734 0.438364 0.499999 Zr\n0.783673 0.530872 0.499999 Zr\n0.619036 0.695490 0.499999 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.586856469288137,
"density_atomic": 0.03457838948911616,
"volume": 694.0751247988054,
"volume_molar": 17.415908748137387,
"formula_full": "Yb12 Zr12",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.216256162916667,
"spacegroup": 57
},
{
"id": "oqmd-301037",
"created_at": "2022-09-04T14:50:06.270474Z",
"updated_at": "2022-09-04T14:50:06.270491Z",
"structure_string": "Yb3 Zr1\n1.0\n-2.543633 2.543633 5.041708\n2.543633 -2.543633 5.041708\n2.543633 2.543633 -5.041708\nYb Zr\n3 1\ndirect\n0.500000 0.500000 0.000000 Yb\n0.750002 0.250001 0.500001 Yb\n0.250001 0.750002 0.500001 Yb\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.767427266348133,
"density_atomic": 0.03065585332676356,
"volume": 130.48079129827613,
"volume_molar": 19.644342291860053,
"formula_full": "Yb3 Zr1",
"formula_reduced": "Yb3Zr",
"formula_anonymous": "AB3",
"formation_energy": 0.3258869725,
"spacegroup": 139
},
{
"id": "oqmd-337762",
"created_at": "2022-09-04T15:04:24.650462Z",
"updated_at": "2022-09-04T15:04:24.650492Z",
"structure_string": "Yb1 Zr1\n1.0\n2.277395 2.277395 0.000000\n0.000000 4.554790 0.000000\n0.000000 0.000000 5.107027\nYb Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500001 0.499999 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 8.28346852910816,
"density_atomic": 0.03775331750110376,
"volume": 52.97547692177059,
"volume_molar": 15.9512889425517,
"formula_full": "Yb1 Zr1",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.372434735,
"spacegroup": 123
},
{
"id": "oqmd-302195",
"created_at": "2022-09-04T14:49:47.926615Z",
"updated_at": "2022-09-04T14:49:47.926639Z",
"structure_string": "Yb1 Zr3\n1.0\n-2.305050 2.305050 4.594288\n2.305050 -2.305050 4.594288\n2.305050 2.305050 -4.594288\nYb Zr\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.000000 Zr\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.596924466812641,
"density_atomic": 0.0409657663085333,
"volume": 97.64250398427889,
"volume_molar": 14.700422578804709,
"formula_full": "Yb1 Zr3",
"formula_reduced": "YbZr3",
"formula_anonymous": "AB3",
"formation_energy": 0.2379461825,
"spacegroup": 139
},
{
"id": "oqmd-758409",
"created_at": "2022-09-04T15:24:21.359425Z",
"updated_at": "2022-09-04T15:24:21.359451Z",
"structure_string": "Yb6 Zr6\n1.0\n9.326088 -1.044888 0.000000\n0.462433 6.743780 0.000000\n0.000000 0.000000 5.324480\nYb Zr\n6 6\ndirect\n0.702272 0.232391 0.000000 Yb\n0.318093 0.237916 0.000000 Yb\n0.340981 0.751329 0.000000 Yb\n0.570822 0.484358 0.500000 Yb\n0.186634 0.489844 0.500000 Yb\n0.547906 0.970834 0.500000 Yb\n0.985284 0.509872 0.000000 Zr\n0.720455 0.739681 0.000000 Zr\n0.003378 0.983442 0.000000 Zr\n0.903532 0.212400 0.500000 Zr\n0.885347 0.738701 0.500000 Zr\n0.168501 0.982542 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.80251177654294,
"density_atomic": 0.03556127525212457,
"volume": 337.44571630015076,
"volume_molar": 16.93454668682112,
"formula_full": "Yb6 Zr6",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.185038485,
"spacegroup": 11
},
{
"id": "oqmd-323279",
"created_at": "2022-09-04T14:50:57.137768Z",
"updated_at": "2022-09-04T14:50:57.137794Z",
"structure_string": "Yb6 Zr2\n1.0\n7.225451 0.000000 0.000000\n-3.612725 6.257425 0.000000\n0.000000 0.000000 5.791861\nYb Zr\n6 2\ndirect\n0.174021 0.348043 0.250001 Yb\n0.174020 0.825979 0.250001 Yb\n0.651958 0.825979 0.250001 Yb\n0.348042 0.174020 0.750001 Yb\n0.825979 0.174020 0.750001 Yb\n0.825978 0.651957 0.750001 Yb\n0.666667 0.333334 0.250001 Zr\n0.333334 0.666667 0.750001 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.74060718936501,
"density_atomic": 0.030550002017441454,
"volume": 261.86577648776193,
"volume_molar": 19.712407077950008,
"formula_full": "Yb6 Zr2",
"formula_reduced": "Yb3Zr",
"formula_anonymous": "AB3",
"formation_energy": 0.3267549325,
"spacegroup": 194
},
{
"id": "oqmd-758391",
"created_at": "2022-09-04T15:24:21.526362Z",
"updated_at": "2022-09-04T15:24:21.526381Z",
"structure_string": "Yb4 Zr8\n1.0\n5.722880 0.000000 0.000000\n0.000000 10.369142 0.000000\n0.000000 0.000000 5.193374\nYb Zr\n4 8\ndirect\n0.993080 0.000000 0.000000 Yb\n0.493075 0.500000 0.000000 Yb\n0.340248 0.000000 0.500001 Yb\n0.840243 0.500000 0.500001 Yb\n0.523471 0.183162 0.000000 Zr\n0.023551 0.316821 0.000000 Zr\n0.023551 0.683179 0.000000 Zr\n0.523471 0.816838 0.000000 Zr\n0.809772 0.183180 0.500001 Zr\n0.309853 0.316838 0.500001 Zr\n0.309853 0.683163 0.500001 Zr\n0.809772 0.816821 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.661732288116,
"density_atomic": 0.038938048812125675,
"volume": 308.18185209791733,
"volume_molar": 15.46595410842633,
"formula_full": "Yb4 Zr8",
"formula_reduced": "YbZr2",
"formula_anonymous": "AB2",
"formation_energy": 0.215809733333334,
"spacegroup": 63
},
{
"id": "oqmd-758406",
"created_at": "2022-09-04T15:24:20.850730Z",
"updated_at": "2022-09-04T15:24:20.850756Z",
"structure_string": "Yb6 Zr6\n1.0\n5.744077 0.000444 0.000000\n0.000858 10.990794 0.000000\n0.000000 0.000000 5.334972\nYb Zr\n6 6\ndirect\n0.465997 0.194447 0.000000 Yb\n0.965947 0.972347 0.000000 Yb\n0.882360 0.184545 0.500001 Yb\n0.822434 0.505883 0.500001 Yb\n0.322557 0.660662 0.500001 Yb\n0.382447 0.982278 0.500001 Yb\n0.011694 0.373651 0.000000 Zr\n0.483338 0.501637 0.000000 Zr\n0.983220 0.665031 0.000000 Zr\n0.511757 0.792958 0.000000 Zr\n0.334089 0.357799 0.500001 Zr\n0.834100 0.808760 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.817301987793182,
"density_atomic": 0.03562868415689395,
"volume": 336.80727436233616,
"volume_molar": 16.9025067933494,
"formula_full": "Yb6 Zr6",
"formula_reduced": "YbZr",
"formula_anonymous": "AB",
"formation_energy": 0.256476539166667,
"spacegroup": 26
}
]
}