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=-structure_string&page=24",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=22",
"results": [
{
"id": "oqmd-1609959",
"created_at": "2022-09-04T15:58:16.512533Z",
"updated_at": "2022-09-04T15:58:16.512602Z",
"structure_string": "Zr8 Nb4\n1.0\n5.673147 0.000000 0.000000\n-2.836573 4.913089 0.000000\n0.000000 0.000000 9.136552\nNb Zr\n4 8\ndirect\n0.333333 0.666667 0.066390 Nb\n0.333333 0.666667 0.433610 Nb\n0.666667 0.333333 0.566390 Nb\n0.666667 0.333333 0.933610 Nb\n0.000000 0.000000 0.000000 Zr\n0.350244 0.175122 0.250000 Zr\n0.824878 0.175122 0.250000 Zr\n0.824878 0.649756 0.250000 Zr\n0.000000 0.000000 0.500000 Zr\n0.175122 0.350244 0.750000 Zr\n0.175122 0.824878 0.750000 Zr\n0.649756 0.824878 0.750000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.181911996894122,
"density_atomic": 0.04712162376299465,
"volume": 254.66015475943317,
"volume_molar": 12.779994149372422,
"formula_full": "Zr8 Nb4",
"formula_reduced": "Zr2Nb",
"formula_anonymous": "AB2",
"formation_energy": 0.420778252500001,
"spacegroup": 194
},
{
"id": "oqmd-757303",
"created_at": "2022-09-04T15:24:17.848983Z",
"updated_at": "2022-09-04T15:24:17.849008Z",
"structure_string": "Zr8 Nb4\n1.0\n5.658882 0.000000 0.000000\n0.000000 8.932648 0.000000\n0.000000 0.000000 5.082275\nNb Zr\n4 8\ndirect\n0.038006 0.000000 0.000000 Nb\n0.537820 0.500000 0.000000 Nb\n0.295504 0.000000 0.500000 Nb\n0.795318 0.500000 0.500000 Nb\n0.526850 0.163954 0.000000 Zr\n0.026813 0.336057 0.000000 Zr\n0.026813 0.663943 0.000000 Zr\n0.526850 0.836046 0.000000 Zr\n0.806511 0.163942 0.500000 Zr\n0.306474 0.336046 0.500000 Zr\n0.306474 0.663954 0.500000 Zr\n0.806511 0.836057 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.119214174755858,
"density_atomic": 0.04671025375639529,
"volume": 256.90290749827136,
"volume_molar": 12.892545588398747,
"formula_full": "Zr8 Nb4",
"formula_reduced": "Zr2Nb",
"formula_anonymous": "AB2",
"formation_energy": 0.136588979166667,
"spacegroup": 63
},
{
"id": "oqmd-757320",
"created_at": "2022-09-04T15:22:47.473975Z",
"updated_at": "2022-09-04T15:22:47.474002Z",
"structure_string": "Zr8 Nb4\n1.0\n17.154293 0.000000 0.000000\n0.000000 2.959915 0.000000\n0.000000 0.000000 5.142208\nNb Zr\n4 8\ndirect\n0.352766 0.000000 0.000000 Nb\n0.010061 0.499997 0.000000 Nb\n0.934380 0.000000 0.499999 Nb\n0.591675 0.499997 0.499999 Nb\n0.171074 0.000000 0.000000 Zr\n0.850872 0.000000 0.000000 Zr\n0.509036 0.499997 0.000000 Zr\n0.685781 0.499997 0.000000 Zr\n0.258659 0.000000 0.499999 Zr\n0.435403 0.000000 0.499999 Zr\n0.093568 0.499997 0.499999 Zr\n0.773366 0.499997 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.004858630734847,
"density_atomic": 0.04595994953059843,
"volume": 261.09689245874483,
"volume_molar": 13.103018653209533,
"formula_full": "Zr8 Nb4",
"formula_reduced": "Zr2Nb",
"formula_anonymous": "AB2",
"formation_energy": 0.251309920833333,
"spacegroup": 59
},
{
"id": "oqmd-757309",
"created_at": "2022-09-04T15:24:17.107810Z",
"updated_at": "2022-09-04T15:24:17.107837Z",
"structure_string": "Zr8 Nb4\n1.0\n15.688738 0.000000 0.000000\n0.000000 3.103840 0.000000\n0.000000 0.000000 5.241202\nNb Zr\n4 8\ndirect\n0.641108 0.000000 0.000000 Nb\n0.141215 0.500000 0.000000 Nb\n0.803225 0.000000 0.500000 Nb\n0.303332 0.500000 0.500000 Nb\n0.301348 0.000000 0.000000 Zr\n0.978731 0.000000 0.000000 Zr\n0.478752 0.500000 0.000000 Zr\n0.801225 0.500000 0.000000 Zr\n0.143215 0.000000 0.500000 Zr\n0.465689 0.000000 0.500000 Zr\n0.643092 0.500000 0.500000 Zr\n0.965709 0.500000 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.166099660838734,
"density_atomic": 0.04701787660614585,
"volume": 255.22207437227064,
"volume_molar": 12.808193807741686,
"formula_full": "Zr8 Nb4",
"formula_reduced": "Zr2Nb",
"formula_anonymous": "AB2",
"formation_energy": 0.111800804166667,
"spacegroup": 63
},
{
"id": "oqmd-1610090",
"created_at": "2022-09-04T15:58:30.855041Z",
"updated_at": "2022-09-04T15:58:30.855069Z",
"structure_string": "Zr8 Nb16\n1.0\n5.592399 0.000000 0.000000\n-2.796200 4.843160 0.000000\n0.000000 0.000000 17.969129\nNb Zr\n16 8\ndirect\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.333333 0.666667 0.125991 Nb\n0.161669 0.323338 0.250000 Nb\n0.161669 0.838331 0.250000 Nb\n0.676662 0.838331 0.250000 Nb\n0.333333 0.666667 0.374009 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.666667 0.333333 0.625991 Nb\n0.323338 0.161669 0.750000 Nb\n0.838331 0.161669 0.750000 Nb\n0.838331 0.676662 0.750000 Nb\n0.666667 0.333333 0.874009 Nb\n0.000000 0.000000 0.093781 Zr\n0.666667 0.333333 0.156667 Zr\n0.666667 0.333333 0.343333 Zr\n0.000000 0.000000 0.406219 Zr\n0.000000 0.000000 0.593781 Zr\n0.333333 0.666667 0.656667 Zr\n0.333333 0.666667 0.843333 Zr\n0.000000 0.000000 0.906219 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"Zr"
],
"chemical_system": "Nb-Zr",
"density": 7.561753068640027,
"density_atomic": 0.04931252594866738,
"volume": 486.69175910767916,
"volume_molar": 12.212192833660232,
"formula_full": "Zr8 Nb16",
"formula_reduced": "ZrNb2",
"formula_anonymous": "AB2",
"formation_energy": 0.0350296679166663,
"spacegroup": 194
},
{
"id": "oqmd-3987",
"created_at": "2022-09-04T15:18:01.909289Z",
"updated_at": "2022-09-04T15:18:01.909315Z",
"structure_string": "Zr8 Nb12 Ge16\n1.0\n6.868289 0.000000 0.000000\n0.000000 13.511245 0.000000\n0.000000 0.000000 6.975146\nGe Nb Zr\n16 12 8\ndirect\n0.303083 0.042709 0.026417 Ge\n0.303083 0.457292 0.026417 Ge\n0.954836 0.250000 0.097143 Ge\n0.320231 0.750000 0.159185 Ge\n0.820231 0.750000 0.340816 Ge\n0.454835 0.250000 0.402856 Ge\n0.803084 0.042709 0.473584 Ge\n0.803084 0.457292 0.473584 Ge\n0.196917 0.542709 0.526416 Ge\n0.196917 0.957292 0.526416 Ge\n0.545165 0.750000 0.597143 Ge\n0.179768 0.250000 0.659185 Ge\n0.679769 0.250000 0.840815 Ge\n0.045164 0.750000 0.902856 Ge\n0.696916 0.542709 0.973584 Ge\n0.696916 0.957292 0.973584 Ge\n0.324919 0.250000 0.003588 Nb\n0.020963 0.590553 0.178174 Nb\n0.020963 0.909447 0.178174 Nb\n0.520964 0.590553 0.321826 Nb\n0.520964 0.909447 0.321826 Nb\n0.824920 0.250000 0.496411 Nb\n0.175080 0.750000 0.503589 Nb\n0.479036 0.090553 0.678174 Nb\n0.479036 0.409446 0.678174 Nb\n0.979037 0.090553 0.821827 Nb\n0.979037 0.409446 0.821827 Nb\n0.675081 0.750000 0.996411 Nb\n0.651143 0.123751 0.165637 Zr\n0.651143 0.376249 0.165637 Zr\n0.151144 0.123751 0.334363 Zr\n0.151144 0.376249 0.334363 Zr\n0.848856 0.623751 0.665636 Zr\n0.848856 0.876249 0.665636 Zr\n0.348855 0.623751 0.834364 Zr\n0.348855 0.876249 0.834364 Zr\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ge",
"Nb",
"Zr"
],
"chemical_system": "Ge-Nb-Zr",
"density": 7.713865930536358,
"density_atomic": 0.05561670662597157,
"volume": 647.2875181571598,
"volume_molar": 10.827934851481867,
"formula_full": "Zr8 Nb12 Ge16",
"formula_reduced": "Zr2Nb3Ge4",
"formula_anonymous": "A2B3C4",
"formation_energy": -0.535664115555556,
"spacegroup": 62
},
{
"id": "oqmd-1260948",
"created_at": "2022-09-04T15:41:36.848907Z",
"updated_at": "2022-09-04T15:41:36.848931Z",
"structure_string": "Zr8 N4 O2\n1.0\n6.301333 -3.358159 0.000000\n6.301333 3.358159 0.000000\n0.000000 0.000000 5.014561\nN O Zr\n4 2 8\ndirect\n0.677935 0.677935 0.209255 N\n0.177936 0.177936 0.290745 N\n0.822064 0.822064 0.709256 N\n0.322065 0.322065 0.790743 N\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.341293 0.341293 0.245006 Zr\n0.819263 0.319263 0.250000 Zr\n0.319263 0.819263 0.250000 Zr\n0.841294 0.841294 0.254993 Zr\n0.158706 0.158706 0.745008 Zr\n0.680737 0.180737 0.750000 Zr\n0.180737 0.680737 0.750000 Zr\n0.658707 0.658707 0.754993 Zr\n",
"nsites": 14,
"nelements": 3,
"elements": [
"N",
"O",
"Zr"
],
"chemical_system": "N-O-Zr",
"density": 6.398953434931324,
"density_atomic": 0.06596771412258982,
"volume": 212.22502835225382,
"volume_molar": 9.12892138237331,
"formula_full": "Zr8 N4 O2",
"formula_reduced": "Zr4N2O",
"formula_anonymous": "AB2C4",
"formation_energy": -1.65351829022368,
"spacegroup": 64
},
{
"id": "oqmd-1270116",
"created_at": "2022-09-04T15:41:46.104923Z",
"updated_at": "2022-09-04T15:41:46.104957Z",
"structure_string": "Zr8 N12 O2\n1.0\n3.943981 0.000000 0.000000\n0.000000 7.428330 0.000000\n0.000000 0.000000 9.034013\nN O Zr\n12 2 8\ndirect\n0.820595 0.009707 0.000000 N\n0.179402 0.990291 0.000000 N\n0.222022 0.250951 0.232836 N\n0.777978 0.749047 0.232836 N\n0.722022 0.249048 0.267165 N\n0.277981 0.750952 0.267165 N\n0.320595 0.490292 0.500000 N\n0.679405 0.509708 0.500000 N\n0.722022 0.249048 0.732836 N\n0.277981 0.750952 0.732836 N\n0.222022 0.250951 0.767164 N\n0.777978 0.749047 0.767164 N\n0.500000 0.500001 0.000000 O\n0.000000 0.000000 0.500000 O\n0.027353 0.293409 0.000000 Zr\n0.972649 0.706591 0.000000 Zr\n0.500000 0.000000 0.192760 Zr\n0.000000 0.500001 0.307241 Zr\n0.527353 0.206592 0.500000 Zr\n0.472647 0.793409 0.500000 Zr\n0.000000 0.500001 0.692759 Zr\n0.500000 0.000000 0.807241 Zr\n",
"nsites": 22,
"nelements": 3,
"elements": [
"N",
"O",
"Zr"
],
"chemical_system": "N-O-Zr",
"density": 5.833983282887042,
"density_atomic": 0.08312199665177562,
"volume": 264.6712168400498,
"volume_molar": 7.244942376960283,
"formula_full": "Zr8 N12 O2",
"formula_reduced": "Zr4N6O",
"formula_anonymous": "AB4C6",
"formation_energy": -0.785362481630889,
"spacegroup": 58
},
{
"id": "oqmd-757233",
"created_at": "2022-09-04T15:22:46.411820Z",
"updated_at": "2022-09-04T15:22:46.411840Z",
"structure_string": "Zr8 Mo8\n1.0\n9.531802 0.000000 0.000000\n0.000000 6.605490 0.000000\n0.000000 0.000000 4.786558\nMo Zr\n8 8\ndirect\n0.715953 0.258105 0.000000 Mo\n0.486567 0.500001 0.000000 Mo\n0.943513 0.500001 0.000000 Mo\n0.715953 0.741895 0.000000 Mo\n0.180100 0.000000 0.500000 Mo\n0.723153 0.000000 0.500000 Mo\n0.950715 0.241896 0.500000 Mo\n0.950715 0.758106 0.500000 Mo\n0.496237 0.000000 0.000000 Zr\n0.945521 0.000000 0.000000 Zr\n0.210994 0.244993 0.000000 Zr\n0.210994 0.755007 0.000000 Zr\n0.455672 0.255006 0.500000 Zr\n0.170429 0.500001 0.500000 Zr\n0.721146 0.500001 0.500000 Zr\n0.455672 0.744992 0.500000 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 8.25007744050968,
"density_atomic": 0.053090474284391495,
"volume": 301.3723312075208,
"volume_molar": 11.343166248131444,
"formula_full": "Zr8 Mo8",
"formula_reduced": "ZrMo",
"formula_anonymous": "AB",
"formation_energy": 0.0392498143750011,
"spacegroup": 59
},
{
"id": "oqmd-757249",
"created_at": "2022-09-04T15:25:48.124743Z",
"updated_at": "2022-09-04T15:25:48.124771Z",
"structure_string": "Zr8 Mo8\n1.0\n5.624332 0.000000 0.000000\n0.000000 11.274313 0.000000\n0.000000 0.000000 4.885678\nMo Zr\n8 8\ndirect\n0.052997 0.518981 0.000000 Mo\n0.442381 0.637822 0.000000 Mo\n0.442381 0.862177 0.000000 Mo\n0.052997 0.981019 0.000000 Mo\n0.280392 0.018925 0.500000 Mo\n0.891046 0.137729 0.500000 Mo\n0.891046 0.362270 0.500000 Mo\n0.280392 0.481075 0.500000 Mo\n0.593336 0.096617 0.000000 Zr\n0.106011 0.250000 0.000000 Zr\n0.593336 0.403384 0.000000 Zr\n0.905962 0.750000 0.000000 Zr\n0.427156 0.250000 0.500000 Zr\n0.739890 0.596666 0.500000 Zr\n0.227371 0.750000 0.500000 Zr\n0.739890 0.903334 0.500000 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 8.025563320623982,
"density_atomic": 0.05164569256031377,
"volume": 309.80318409545197,
"volume_molar": 11.660489890743783,
"formula_full": "Zr8 Mo8",
"formula_reduced": "ZrMo",
"formula_anonymous": "AB",
"formation_energy": 0.123331961250001,
"spacegroup": 59
},
{
"id": "oqmd-757234",
"created_at": "2022-09-04T15:25:43.979888Z",
"updated_at": "2022-09-04T15:25:43.979911Z",
"structure_string": "Zr8 Mo8\n1.0\n5.563588 0.000000 0.000000\n0.000000 11.044869 0.000000\n0.000000 0.000000 4.963857\nMo Zr\n8 8\ndirect\n0.992928 0.265396 0.000000 Mo\n0.479971 0.375000 0.000000 Mo\n0.992928 0.484604 0.000000 Mo\n0.571660 0.875000 0.000000 Mo\n0.761678 0.375000 0.499998 Mo\n0.340381 0.765390 0.499998 Mo\n0.853253 0.875000 0.499998 Mo\n0.340381 0.984609 0.499998 Mo\n0.062862 0.009552 0.000000 Zr\n0.533136 0.135391 0.000000 Zr\n0.533136 0.614608 0.000000 Zr\n0.062862 0.740448 0.000000 Zr\n0.800221 0.114608 0.499998 Zr\n0.270484 0.240454 0.499998 Zr\n0.270484 0.509546 0.499998 Zr\n0.800221 0.635393 0.499998 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 8.1512949849413,
"density_atomic": 0.052454794503817445,
"volume": 305.0245483057909,
"volume_molar": 11.480629782205577,
"formula_full": "Zr8 Mo8",
"formula_reduced": "ZrMo",
"formula_anonymous": "AB",
"formation_energy": 0.240976738125001,
"spacegroup": 59
},
{
"id": "oqmd-757243",
"created_at": "2022-09-04T15:25:09.446658Z",
"updated_at": "2022-09-04T15:25:09.446681Z",
"structure_string": "Zr8 Mo6\n1.0\n5.474990 6.325155 0.000000\n-2.737610 7.906543 0.000000\n0.000000 0.000000 4.574220\nMo Zr\n6 8\ndirect\n0.188769 0.285701 0.000000 Mo\n0.239725 0.617496 0.000000 Mo\n0.857134 0.668332 0.000000 Mo\n0.335054 0.095272 0.500002 Mo\n0.666716 0.712531 0.500002 Mo\n0.283985 0.763470 0.500002 Mo\n0.035007 0.034744 0.000000 Zr\n0.605921 0.072823 0.000000 Zr\n0.644412 0.463885 0.000000 Zr\n0.428449 0.857150 0.000000 Zr\n0.917898 0.308098 0.500002 Zr\n0.488788 0.346225 0.500002 Zr\n0.095355 0.523780 0.500002 Zr\n0.879357 0.917056 0.500002 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.819601931545839,
"density_atomic": 0.05050208739275173,
"volume": 277.2162641738515,
"volume_molar": 11.92453831297342,
"formula_full": "Zr8 Mo6",
"formula_reduced": "Zr4Mo3",
"formula_anonymous": "A3B4",
"formation_energy": 0.233304627142857,
"spacegroup": 176
}
]
}