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=25",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=23",
"results": [
{
"id": "oqmd-757231",
"created_at": "2022-09-04T15:25:10.843120Z",
"updated_at": "2022-09-04T15:25:10.843135Z",
"structure_string": "Zr8 Mo6\n1.0\n5.014857 5.138863 0.000000\n-3.579800 7.427537 0.000000\n0.000000 0.000000 4.883944\nMo Zr\n6 8\ndirect\n0.735652 0.455258 0.000000 Mo\n0.353059 0.589567 0.000000 Mo\n0.478634 0.852070 0.000000 Mo\n0.473728 0.386008 0.500000 Mo\n0.599308 0.648507 0.500000 Mo\n0.216735 0.782827 0.500000 Mo\n0.612785 0.164788 0.000000 Zr\n0.166734 0.317659 0.000000 Zr\n0.895268 0.712705 0.000000 Zr\n0.076785 0.991042 0.000000 Zr\n0.339578 0.073305 0.500000 Zr\n0.875578 0.247027 0.500000 Zr\n0.057112 0.525387 0.500000 Zr\n0.785611 0.920416 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.976516348008198,
"density_atomic": 0.051515502863607815,
"volume": 271.76285237992005,
"volume_molar": 11.689958216935567,
"formula_full": "Zr8 Mo6",
"formula_reduced": "Zr4Mo3",
"formula_anonymous": "A3B4",
"formation_energy": 0.069903022142857,
"spacegroup": 11
},
{
"id": "oqmd-757239",
"created_at": "2022-09-04T15:22:46.311967Z",
"updated_at": "2022-09-04T15:22:46.311991Z",
"structure_string": "Zr8 Mo4\n1.0\n5.724192 0.000000 0.000000\n0.000000 8.129813 0.000000\n0.000000 0.000000 5.207857\nMo Zr\n4 8\ndirect\n0.040339 0.000000 0.000000 Mo\n0.540429 0.499999 0.000000 Mo\n0.292894 0.000000 0.500000 Mo\n0.792982 0.499999 0.500000 Mo\n0.529062 0.170482 0.000000 Zr\n0.029066 0.329474 0.000000 Zr\n0.029066 0.670527 0.000000 Zr\n0.529062 0.829517 0.000000 Zr\n0.804257 0.170527 0.500000 Zr\n0.304265 0.329518 0.500000 Zr\n0.304265 0.670483 0.500000 Zr\n0.804257 0.829473 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.629670814784627,
"density_atomic": 0.04951393553059959,
"volume": 242.35601293668134,
"volume_molar": 12.1625168661423,
"formula_full": "Zr8 Mo4",
"formula_reduced": "Zr2Mo",
"formula_anonymous": "AB2",
"formation_energy": 0.204957555833333,
"spacegroup": 63
},
{
"id": "oqmd-757229",
"created_at": "2022-09-04T15:24:17.468526Z",
"updated_at": "2022-09-04T15:24:17.468550Z",
"structure_string": "Zr8 Mo4\n1.0\n5.687368 0.000000 0.000000\n0.000000 8.636410 0.000000\n0.000000 0.000000 5.028940\nMo Zr\n4 8\ndirect\n0.998476 0.689693 0.000000 Mo\n0.998476 0.976975 0.000000 Mo\n0.834848 0.189692 0.500000 Mo\n0.834848 0.476974 0.500000 Mo\n0.572435 0.155169 0.000000 Zr\n0.058943 0.333333 0.000000 Zr\n0.572435 0.511497 0.000000 Zr\n0.463649 0.833333 0.000000 Zr\n0.260885 0.011497 0.500000 Zr\n0.369675 0.333333 0.500000 Zr\n0.260885 0.655169 0.500000 Zr\n0.774379 0.833333 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.485805932051866,
"density_atomic": 0.0485803019962479,
"volume": 247.0136970520854,
"volume_molar": 12.39626044413046,
"formula_full": "Zr8 Mo4",
"formula_reduced": "Zr2Mo",
"formula_anonymous": "AB2",
"formation_energy": 0.1830591725,
"spacegroup": 59
},
{
"id": "oqmd-1609950",
"created_at": "2022-09-04T15:58:20.292172Z",
"updated_at": "2022-09-04T15:58:20.292198Z",
"structure_string": "Zr8 Mo4\n1.0\n5.652524 0.000000 0.000000\n-2.826262 4.895229 0.000000\n0.000000 0.000000 8.747286\nMo Zr\n4 8\ndirect\n0.333333 0.666667 0.069146 Mo\n0.333333 0.666667 0.430854 Mo\n0.666667 0.333333 0.569146 Mo\n0.666667 0.333333 0.930854 Mo\n0.000000 0.000000 0.000000 Zr\n0.351131 0.175566 0.250000 Zr\n0.824434 0.175566 0.250000 Zr\n0.824434 0.648869 0.250000 Zr\n0.000000 0.000000 0.500000 Zr\n0.175566 0.351131 0.750000 Zr\n0.175566 0.824434 0.750000 Zr\n0.648869 0.824434 0.750000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.63960396317272,
"density_atomic": 0.049578398242142906,
"volume": 242.0408973559717,
"volume_molar": 12.146702946286446,
"formula_full": "Zr8 Mo4",
"formula_reduced": "Zr2Mo",
"formula_anonymous": "AB2",
"formation_energy": 0.6318471566666659,
"spacegroup": 194
},
{
"id": "oqmd-757256",
"created_at": "2022-09-04T15:22:46.282784Z",
"updated_at": "2022-09-04T15:22:46.282798Z",
"structure_string": "Zr8 Mo4\n1.0\n14.333516 0.000000 0.000000\n0.000000 3.391712 0.000000\n0.000000 0.000000 5.020516\nMo Zr\n4 8\ndirect\n0.301140 0.000000 0.000000 Mo\n0.801195 0.500001 0.000000 Mo\n0.143246 0.000000 0.500000 Mo\n0.643301 0.500001 0.500000 Mo\n0.647471 0.000000 0.000000 Zr\n0.951064 0.000000 0.000000 Zr\n0.147431 0.500001 0.000000 Zr\n0.451032 0.500001 0.000000 Zr\n0.493409 0.000000 0.500000 Zr\n0.797010 0.000000 0.500000 Zr\n0.296970 0.500001 0.500000 Zr\n0.993377 0.500001 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.5759925817832015,
"density_atomic": 0.049165582288008984,
"volume": 244.07317968298904,
"volume_molar": 12.248692031597766,
"formula_full": "Zr8 Mo4",
"formula_reduced": "Zr2Mo",
"formula_anonymous": "AB2",
"formation_energy": 0.0186348433333331,
"spacegroup": 63
},
{
"id": "oqmd-757245",
"created_at": "2022-09-04T15:24:16.696437Z",
"updated_at": "2022-09-04T15:24:16.696458Z",
"structure_string": "Zr8 Mo4\n1.0\n14.329827 0.000000 0.000000\n0.000000 3.392602 0.000000\n0.000000 0.000000 5.019793\nMo Zr\n4 8\ndirect\n0.643037 0.000000 0.000000 Mo\n0.143044 0.499997 0.000000 Mo\n0.801397 0.000000 0.500001 Mo\n0.301403 0.499997 0.500001 Mo\n0.296905 0.000000 0.000000 Zr\n0.993179 0.000000 0.000000 Zr\n0.493171 0.499997 0.000000 Zr\n0.796906 0.499997 0.000000 Zr\n0.147535 0.000000 0.500001 Zr\n0.451269 0.000000 0.500001 Zr\n0.647536 0.499997 0.500001 Zr\n0.951261 0.499997 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 7.577046107988277,
"density_atomic": 0.04917241931019045,
"volume": 244.0392433063209,
"volume_molar": 12.246988951287936,
"formula_full": "Zr8 Mo4",
"formula_reduced": "Zr2Mo",
"formula_anonymous": "AB2",
"formation_energy": 0.0186442849999994,
"spacegroup": 63
},
{
"id": "oqmd-1610089",
"created_at": "2022-09-04T15:58:26.766310Z",
"updated_at": "2022-09-04T15:58:26.766335Z",
"structure_string": "Zr8 Mo16\n1.0\n5.394223 0.000000 0.000000\n-2.697111 4.671534 0.000000\n0.000000 0.000000 17.484033\nMo Zr\n16 8\ndirect\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.333333 0.666667 0.123652 Mo\n0.163794 0.327588 0.250000 Mo\n0.163794 0.836206 0.250000 Mo\n0.672412 0.836206 0.250000 Mo\n0.333333 0.666667 0.376348 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.666667 0.333333 0.623652 Mo\n0.327588 0.163794 0.750000 Mo\n0.836206 0.163794 0.750000 Mo\n0.836206 0.672412 0.750000 Mo\n0.666667 0.333333 0.876348 Mo\n0.000000 0.000000 0.094613 Zr\n0.666667 0.333333 0.156202 Zr\n0.666667 0.333333 0.343798 Zr\n0.000000 0.000000 0.405387 Zr\n0.000000 0.000000 0.594613 Zr\n0.333333 0.666667 0.656202 Zr\n0.333333 0.666667 0.843798 Zr\n0.000000 0.000000 0.905387 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mo",
"Zr"
],
"chemical_system": "Mo-Zr",
"density": 8.536012886077636,
"density_atomic": 0.054472989940337675,
"volume": 440.58532542983863,
"volume_molar": 11.055278527203734,
"formula_full": "Zr8 Mo16",
"formula_reduced": "ZrMo2",
"formula_anonymous": "AB2",
"formation_energy": -0.1292746508333332,
"spacegroup": 194
},
{
"id": "oqmd-757217",
"created_at": "2022-09-04T15:25:50.286687Z",
"updated_at": "2022-09-04T15:25:50.286701Z",
"structure_string": "Zr8 Mn8\n1.0\n5.557147 0.000000 0.000000\n0.000000 10.209174 0.000000\n0.000000 0.000000 4.716986\nMn Zr\n8 8\ndirect\n0.077318 0.514643 0.000000 Mn\n0.415109 0.641944 0.000000 Mn\n0.415109 0.858056 0.000000 Mn\n0.077318 0.985357 0.000000 Mn\n0.256061 0.014660 0.499999 Mn\n0.918194 0.141950 0.499999 Mn\n0.918194 0.358052 0.499999 Mn\n0.256061 0.485339 0.499999 Mn\n0.598494 0.086298 0.000000 Zr\n0.097160 0.250000 0.000000 Zr\n0.598494 0.413701 0.000000 Zr\n0.880169 0.750000 0.000000 Zr\n0.453141 0.250000 0.499999 Zr\n0.734809 0.586322 0.499999 Zr\n0.236141 0.750000 0.499999 Zr\n0.734809 0.913677 0.499999 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.255487814981838,
"density_atomic": 0.05978784563309172,
"volume": 267.6129208299191,
"volume_molar": 10.072516740203183,
"formula_full": "Zr8 Mn8",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.119157490603449,
"spacegroup": 59
},
{
"id": "oqmd-757202",
"created_at": "2022-09-04T15:25:44.358947Z",
"updated_at": "2022-09-04T15:25:44.358978Z",
"structure_string": "Zr8 Mn8\n1.0\n4.358162 0.000000 0.000000\n0.000000 13.566770 0.000000\n0.000000 0.000000 4.349560\nMn Zr\n8 8\ndirect\n0.916249 0.265836 0.000000 Mn\n0.415928 0.375000 0.000000 Mn\n0.916249 0.484164 0.000000 Mn\n0.417226 0.875000 0.000000 Mn\n0.916102 0.375000 0.500002 Mn\n0.417068 0.765814 0.500002 Mn\n0.917421 0.875000 0.500002 Mn\n0.417068 0.984185 0.500002 Mn\n0.416747 0.124899 0.000000 Zr\n0.416747 0.625102 0.000000 Zr\n0.917118 0.769403 0.000000 Zr\n0.917118 0.980596 0.000000 Zr\n0.916572 0.125222 0.500002 Zr\n0.416205 0.269393 0.500002 Zr\n0.416205 0.480608 0.500002 Zr\n0.916572 0.624778 0.500002 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 7.550027562153434,
"density_atomic": 0.062214959754948916,
"volume": 257.1728739039693,
"volume_molar": 9.67957028939646,
"formula_full": "Zr8 Mn8",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.187693611853449,
"spacegroup": 139
},
{
"id": "oqmd-757201",
"created_at": "2022-09-04T15:25:44.937558Z",
"updated_at": "2022-09-04T15:25:44.937582Z",
"structure_string": "Zr8 Mn8\n1.0\n10.593300 0.000000 0.000000\n0.000000 5.851466 0.000000\n0.000000 0.000000 4.515506\nMn Zr\n8 8\ndirect\n0.764288 0.253854 0.000000 Mn\n0.520210 0.500001 0.000000 Mn\n0.931961 0.500001 0.000000 Mn\n0.764288 0.746146 0.000000 Mn\n0.146456 0.000000 0.500002 Mn\n0.734706 0.000000 0.500002 Mn\n0.902379 0.246145 0.500002 Mn\n0.902379 0.753854 0.500002 Mn\n0.557934 0.000000 0.000000 Zr\n0.988582 0.000000 0.000000 Zr\n0.249012 0.242987 0.000000 Zr\n0.249012 0.757012 0.000000 Zr\n0.417655 0.257013 0.500002 Zr\n0.108732 0.500001 0.500002 Zr\n0.678084 0.500001 0.500002 Zr\n0.417655 0.742987 0.500002 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.9369939226768516,
"density_atomic": 0.05716334068541705,
"volume": 279.8996666071646,
"volume_molar": 10.534969943658856,
"formula_full": "Zr8 Mn8",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"formation_energy": 0.202356528728449,
"spacegroup": 59
},
{
"id": "oqmd-757199",
"created_at": "2022-09-04T15:25:10.820176Z",
"updated_at": "2022-09-04T15:25:10.820209Z",
"structure_string": "Zr8 Mn6\n1.0\n5.315554 6.143824 0.000000\n-2.647402 7.670535 0.000000\n0.000000 0.000000 4.570227\nMn Zr\n6 8\ndirect\n0.681737 0.456046 0.000000 Mn\n0.314796 0.576511 0.000000 Mn\n0.433368 0.823680 0.000000 Mn\n0.519039 0.414376 0.499999 Mn\n0.637596 0.661552 0.499999 Mn\n0.270652 0.782064 0.499999 Mn\n0.564261 0.192143 0.000000 Zr\n0.143315 0.285110 0.000000 Zr\n0.814133 0.707202 0.000000 Zr\n0.048957 0.956849 0.000000 Zr\n0.388157 0.045887 0.499999 Zr\n0.903367 0.281316 0.499999 Zr\n0.138155 0.530863 0.499999 Zr\n0.809031 0.952972 0.499999 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.748588024592774,
"density_atomic": 0.05370609516575489,
"volume": 260.67804700362854,
"volume_molar": 11.213142086412482,
"formula_full": "Zr8 Mn6",
"formula_reduced": "Zr4Mn3",
"formula_anonymous": "A3B4",
"formation_energy": 0.160495989802956,
"spacegroup": 176
},
{
"id": "oqmd-757211",
"created_at": "2022-09-04T15:25:11.341928Z",
"updated_at": "2022-09-04T15:25:11.341948Z",
"structure_string": "Zr8 Mn6\n1.0\n5.205115 6.011230 0.000000\n-2.603123 7.514524 0.000000\n0.000000 0.000000 4.659515\nMn Zr\n6 8\ndirect\n0.144932 0.286624 0.000000 Mn\n0.282646 0.573529 0.000000 Mn\n0.857913 0.711341 0.000000 Mn\n0.378877 0.094270 0.499998 Mn\n0.665876 0.669650 0.499998 Mn\n0.241170 0.807413 0.499998 Mn\n0.508914 0.198906 0.000000 Zr\n0.770377 0.434886 0.000000 Zr\n0.428516 0.857196 0.000000 Zr\n0.006342 0.937470 0.000000 Zr\n0.015000 0.181924 0.499998 Zr\n0.517395 0.443357 0.499998 Zr\n0.095214 0.523864 0.499998 Zr\n0.753395 0.946139 0.499998 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"Zr"
],
"chemical_system": "Mn-Zr",
"density": 6.894422506902892,
"density_atomic": 0.054866663947973356,
"volume": 255.16404666548215,
"volume_molar": 10.9759557565053,
"formula_full": "Zr8 Mn6",
"formula_reduced": "Zr4Mn3",
"formula_anonymous": "A3B4",
"formation_energy": 0.0990244540886717,
"spacegroup": 176
}
]
}