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=10",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=8",
"results": [
{
"id": "oqmd-758071",
"created_at": "2022-09-04T15:24:18.967153Z",
"updated_at": "2022-09-04T15:24:18.967163Z",
"structure_string": "Zr8 Tc4\n1.0\n4.712219 0.000000 0.000000\n0.000000 10.546843 0.000000\n0.000000 0.000000 4.703196\nTc Zr\n4 8\ndirect\n0.916657 0.000000 0.000000 Tc\n0.416676 0.499999 0.000000 Tc\n0.416647 0.000000 0.500000 Tc\n0.916666 0.499999 0.500000 Tc\n0.416672 0.149322 0.000000 Zr\n0.916681 0.350677 0.000000 Zr\n0.916681 0.649322 0.000000 Zr\n0.416672 0.850677 0.000000 Zr\n0.916642 0.149323 0.500000 Zr\n0.416653 0.350678 0.500000 Zr\n0.416653 0.649321 0.500000 Zr\n0.916642 0.850677 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tc",
"Zr"
],
"chemical_system": "Tc-Zr",
"density": 7.969304313240358,
"density_atomic": 0.051338150762558835,
"volume": 233.74429779328278,
"volume_molar": 11.730342192987553,
"formula_full": "Zr8 Tc4",
"formula_reduced": "Zr2Tc",
"formula_anonymous": "AB2",
"formation_energy": -0.261026020833332,
"spacegroup": 139
},
{
"id": "oqmd-758077",
"created_at": "2022-09-04T15:24:18.923310Z",
"updated_at": "2022-09-04T15:24:18.923330Z",
"structure_string": "Zr8 Tc4\n1.0\n14.435654 0.000000 0.000000\n0.000000 3.341988 0.000000\n0.000000 0.000000 4.876590\nTc Zr\n4 8\ndirect\n0.642997 0.000000 0.000000 Tc\n0.142995 0.499999 0.000000 Tc\n0.801444 0.000000 0.499999 Tc\n0.301443 0.499999 0.499999 Tc\n0.297720 0.000000 0.000000 Zr\n0.994253 0.000000 0.000000 Zr\n0.494251 0.499999 0.000000 Zr\n0.797724 0.499999 0.000000 Zr\n0.146715 0.000000 0.499999 Zr\n0.450190 0.000000 0.499999 Zr\n0.646719 0.499999 0.499999 Zr\n0.950188 0.499999 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tc",
"Zr"
],
"chemical_system": "Tc-Zr",
"density": 7.9177875017823505,
"density_atomic": 0.05100628015886719,
"volume": 235.26514700982088,
"volume_molar": 11.806665260126955,
"formula_full": "Zr8 Tc4",
"formula_reduced": "Zr2Tc",
"formula_anonymous": "AB2",
"formation_energy": -0.275230478333332,
"spacegroup": 63
},
{
"id": "oqmd-758088",
"created_at": "2022-09-04T15:24:20.223233Z",
"updated_at": "2022-09-04T15:24:20.223260Z",
"structure_string": "Zr8 Tc4\n1.0\n14.433667 0.000000 0.000000\n0.000000 3.342348 0.000000\n0.000000 0.000000 4.876474\nTc Zr\n4 8\ndirect\n0.301576 0.000000 0.000000 Tc\n0.801577 0.499999 0.000000 Tc\n0.142864 0.000000 0.499999 Tc\n0.642864 0.499999 0.499999 Tc\n0.646784 0.000000 0.000000 Zr\n0.950318 0.000000 0.000000 Zr\n0.146787 0.499999 0.000000 Zr\n0.450313 0.499999 0.000000 Zr\n0.494127 0.000000 0.499999 Zr\n0.797654 0.000000 0.499999 Zr\n0.297656 0.499999 0.499999 Zr\n0.994122 0.499999 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tc",
"Zr"
],
"chemical_system": "Tc-Zr",
"density": 7.918212917421543,
"density_atomic": 0.051009020680669745,
"volume": 235.25250710307188,
"volume_molar": 11.806030932646657,
"formula_full": "Zr8 Tc4",
"formula_reduced": "Zr2Tc",
"formula_anonymous": "AB2",
"formation_energy": -0.275199713333333,
"spacegroup": 63
},
{
"id": "oqmd-758061",
"created_at": "2022-09-04T15:24:20.089052Z",
"updated_at": "2022-09-04T15:24:20.089087Z",
"structure_string": "Zr8 Tc4\n1.0\n5.631687 0.000000 0.000000\n0.000000 9.336896 0.000000\n0.000000 0.000000 4.631533\nTc Zr\n4 8\ndirect\n0.982682 0.690962 0.000000 Tc\n0.982682 0.975705 0.000000 Tc\n0.850642 0.190961 0.499999 Tc\n0.850642 0.475705 0.499999 Tc\n0.592739 0.134197 0.000000 Zr\n0.066998 0.333333 0.000000 Zr\n0.592739 0.532470 0.000000 Zr\n0.396945 0.833333 0.000000 Zr\n0.240583 0.032470 0.499999 Zr\n0.436379 0.333333 0.499999 Zr\n0.240583 0.634196 0.499999 Zr\n0.766326 0.833333 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tc",
"Zr"
],
"chemical_system": "Tc-Zr",
"density": 7.648841163182263,
"density_atomic": 0.04927373147765422,
"volume": 243.53747199848328,
"volume_molar": 12.221807805911872,
"formula_full": "Zr8 Tc4",
"formula_reduced": "Zr2Tc",
"formula_anonymous": "AB2",
"formation_energy": -0.0148164533333327,
"spacegroup": 59
},
{
"id": "oqmd-1340385",
"created_at": "2022-09-04T15:46:27.253847Z",
"updated_at": "2022-09-04T15:46:27.253872Z",
"structure_string": "Zr8 Tc16\n1.0\n5.244981 0.000000 0.000000\n-2.622491 4.542287 0.000000\n0.000000 0.000000 17.287983\nTc Zr\n16 8\ndirect\n0.500000 0.000000 0.000000 Tc\n0.000000 0.500000 0.000000 Tc\n0.500000 0.500000 0.000000 Tc\n0.333333 0.666667 0.126676 Tc\n0.161178 0.322355 0.250000 Tc\n0.161178 0.838822 0.250000 Tc\n0.677645 0.838822 0.250000 Tc\n0.333333 0.666667 0.373324 Tc\n0.500000 0.000000 0.500000 Tc\n0.000000 0.500000 0.500000 Tc\n0.500000 0.500000 0.500000 Tc\n0.666667 0.333333 0.626676 Tc\n0.322355 0.161178 0.750000 Tc\n0.838822 0.161178 0.750000 Tc\n0.838822 0.677645 0.750000 Tc\n0.666667 0.333333 0.873324 Tc\n0.000000 0.000000 0.093093 Zr\n0.666667 0.333333 0.155625 Zr\n0.666667 0.333333 0.344375 Zr\n0.000000 0.000000 0.406907 Zr\n0.000000 0.000000 0.593093 Zr\n0.333333 0.666667 0.655625 Zr\n0.333333 0.666667 0.844375 Zr\n0.000000 0.000000 0.906907 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Tc",
"Zr"
],
"chemical_system": "Tc-Zr",
"density": 9.263966868680576,
"density_atomic": 0.05827045702843459,
"volume": 411.87252038007136,
"volume_molar": 10.334809553769826,
"formula_full": "Zr8 Tc16",
"formula_reduced": "ZrTc2",
"formula_anonymous": "AB2",
"formation_energy": -0.299426092083333,
"spacegroup": 194
},
{
"id": "oqmd-758017",
"created_at": "2022-09-04T15:26:07.003228Z",
"updated_at": "2022-09-04T15:26:07.003248Z",
"structure_string": "Zr8 Ta8\n1.0\n5.716339 0.000000 0.000000\n0.000000 12.102287 0.000000\n0.000000 0.000000 4.834117\nTa Zr\n8 8\ndirect\n0.020839 0.510467 0.000000 Ta\n0.439307 0.627543 0.000000 Ta\n0.439307 0.872457 0.000000 Ta\n0.020839 0.989533 0.000000 Ta\n0.312513 0.010402 0.500000 Ta\n0.894032 0.127492 0.500000 Ta\n0.894032 0.372508 0.500000 Ta\n0.312513 0.489598 0.500000 Ta\n0.569781 0.106569 0.000000 Zr\n0.071957 0.250000 0.000000 Zr\n0.569781 0.393431 0.000000 Zr\n0.920367 0.750000 0.000000 Zr\n0.412859 0.250000 0.500000 Zr\n0.763559 0.606628 0.500000 Zr\n0.261356 0.750000 0.500000 Zr\n0.763559 0.893372 0.500000 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 10.811345745144877,
"density_atomic": 0.0478428895040805,
"volume": 334.4279613093889,
"volume_molar": 12.587326606781087,
"formula_full": "Zr8 Ta8",
"formula_reduced": "ZrTa",
"formula_anonymous": "AB",
"formation_energy": 0.176461180624999,
"spacegroup": 59
},
{
"id": "oqmd-758002",
"created_at": "2022-09-04T15:25:53.530900Z",
"updated_at": "2022-09-04T15:25:53.530928Z",
"structure_string": "Zr8 Ta8\n1.0\n5.642060 0.000000 0.000000\n0.000000 11.811439 0.000000\n0.000000 0.000000 4.958477\nTa Zr\n8 8\ndirect\n0.996783 0.263883 0.000000 Ta\n0.488977 0.375001 0.000000 Ta\n0.996783 0.486117 0.000000 Ta\n0.562497 0.875001 0.000000 Ta\n0.770889 0.375001 0.500000 Ta\n0.336491 0.763880 0.500000 Ta\n0.844426 0.875001 0.500000 Ta\n0.336491 0.986119 0.500000 Ta\n0.053114 0.005060 0.000000 Zr\n0.523988 0.126801 0.000000 Zr\n0.523988 0.623200 0.000000 Zr\n0.053114 0.744941 0.000000 Zr\n0.809323 0.123179 0.500000 Zr\n0.280206 0.244936 0.500000 Zr\n0.280206 0.505063 0.500000 Zr\n0.809323 0.626820 0.500000 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 10.94191968854066,
"density_atomic": 0.04842071162662263,
"volume": 330.43710970994687,
"volume_molar": 12.437117418755392,
"formula_full": "Zr8 Ta8",
"formula_reduced": "ZrTa",
"formula_anonymous": "AB",
"formation_energy": 0.1915138925,
"spacegroup": 59
},
{
"id": "oqmd-758001",
"created_at": "2022-09-04T15:25:54.226823Z",
"updated_at": "2022-09-04T15:25:54.226850Z",
"structure_string": "Zr8 Ta8\n1.0\n9.870213 0.000000 0.000000\n0.000000 6.817865 0.000000\n0.000000 0.000000 4.859983\nTa Zr\n8 8\ndirect\n0.721224 0.255846 0.000000 Ta\n0.485419 0.500000 0.000000 Ta\n0.954569 0.500000 0.000000 Ta\n0.721224 0.744154 0.000000 Ta\n0.181247 0.000000 0.500000 Ta\n0.712097 0.000000 0.500000 Ta\n0.945444 0.244154 0.500000 Ta\n0.945444 0.755845 0.500000 Ta\n0.493248 0.000000 0.000000 Zr\n0.958182 0.000000 0.000000 Zr\n0.216099 0.244748 0.000000 Zr\n0.216099 0.755253 0.000000 Zr\n0.450567 0.255253 0.500000 Zr\n0.173419 0.500000 0.500000 Zr\n0.708484 0.500000 0.500000 Zr\n0.450567 0.744748 0.500000 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 11.055354293128824,
"density_atomic": 0.048922687919045596,
"volume": 327.04662561623485,
"volume_molar": 12.309505090899926,
"formula_full": "Zr8 Ta8",
"formula_reduced": "ZrTa",
"formula_anonymous": "AB",
"formation_energy": 0.114578393124999,
"spacegroup": 59
},
{
"id": "oqmd-758011",
"created_at": "2022-09-04T15:25:11.769898Z",
"updated_at": "2022-09-04T15:25:11.769920Z",
"structure_string": "Zr8 Ta6\n1.0\n5.357474 6.186819 0.000000\n-2.679937 7.734562 0.000000\n0.000000 0.000000 5.109789\nTa Zr\n6 8\ndirect\n0.163237 0.292813 0.000000 Ta\n0.258168 0.591861 0.000000 Ta\n0.864241 0.686841 0.000000 Ta\n0.360584 0.088081 0.500001 Ta\n0.659546 0.694118 0.500001 Ta\n0.265597 0.789052 0.500001 Ta\n0.015487 0.000679 0.000000 Zr\n0.572076 0.126788 0.000000 Zr\n0.698178 0.444105 0.000000 Zr\n0.428572 0.857145 0.000000 Zr\n0.951720 0.254154 0.500001 Zr\n0.508301 0.380311 0.500001 Zr\n0.095199 0.523765 0.500001 Zr\n0.825661 0.936853 0.500001 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 10.168916322506808,
"density_atomic": 0.04722395051996653,
"volume": 296.459738032309,
"volume_molar": 12.752301943594931,
"formula_full": "Zr8 Ta6",
"formula_reduced": "Zr4Ta3",
"formula_anonymous": "A3B4",
"formation_energy": 0.194528989999999,
"spacegroup": 176
},
{
"id": "oqmd-757999",
"created_at": "2022-09-04T15:25:11.396979Z",
"updated_at": "2022-09-04T15:25:11.397004Z",
"structure_string": "Zr8 Ta6\n1.0\n5.271141 5.565154 0.000000\n-3.560512 7.758963 0.000000\n0.000000 0.000000 4.798880\nTa Zr\n6 8\ndirect\n0.721172 0.453269 0.000000 Ta\n0.332719 0.581512 0.000000 Ta\n0.464517 0.846374 0.000000 Ta\n0.487835 0.391718 0.500000 Ta\n0.619656 0.656570 0.500000 Ta\n0.231205 0.784810 0.500000 Ta\n0.600840 0.157565 0.000000 Zr\n0.160792 0.303720 0.000000 Zr\n0.887356 0.714633 0.000000 Zr\n0.047344 0.994800 0.000000 Zr\n0.351532 0.080520 0.500000 Zr\n0.905015 0.243278 0.500000 Zr\n0.065011 0.523442 0.500000 Zr\n0.791577 0.934352 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 10.347038205701057,
"density_atomic": 0.048051139841986126,
"volume": 291.3562518191729,
"volume_molar": 12.532773998293324,
"formula_full": "Zr8 Ta6",
"formula_reduced": "Zr4Ta3",
"formula_anonymous": "A3B4",
"formation_energy": 0.10742902642857,
"spacegroup": 11
},
{
"id": "oqmd-1609968",
"created_at": "2022-09-04T15:58:20.515383Z",
"updated_at": "2022-09-04T15:58:20.515418Z",
"structure_string": "Zr8 Ta4\n1.0\n5.638123 0.000000 0.000000\n-2.819061 4.882758 0.000000\n0.000000 0.000000 9.114674\nTa Zr\n4 8\ndirect\n0.333333 0.666667 0.065943 Ta\n0.333333 0.666667 0.434057 Ta\n0.666667 0.333333 0.565943 Ta\n0.666667 0.333333 0.934057 Ta\n0.000000 0.000000 0.000000 Zr\n0.350659 0.175329 0.250000 Zr\n0.824671 0.175329 0.250000 Zr\n0.824671 0.649341 0.250000 Zr\n0.000000 0.000000 0.500000 Zr\n0.175329 0.350659 0.750000 Zr\n0.175329 0.824671 0.750000 Zr\n0.649341 0.824671 0.750000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 9.619404813759465,
"density_atomic": 0.047823390157230375,
"volume": 250.9232398737782,
"volume_molar": 12.592458920626141,
"formula_full": "Zr8 Ta4",
"formula_reduced": "Zr2Ta",
"formula_anonymous": "AB2",
"formation_energy": 0.4457907266666663,
"spacegroup": 194
},
{
"id": "oqmd-758007",
"created_at": "2022-09-04T15:24:19.893813Z",
"updated_at": "2022-09-04T15:24:19.893828Z",
"structure_string": "Zr8 Ta4\n1.0\n5.601367 0.000000 0.000000\n0.000000 9.062533 0.000000\n0.000000 0.000000 5.066198\nTa Zr\n4 8\ndirect\n0.038251 0.000000 0.000000 Ta\n0.538222 0.500001 0.000000 Ta\n0.295103 0.000000 0.500000 Ta\n0.795074 0.500001 0.500000 Ta\n0.522130 0.161669 0.000000 Zr\n0.022130 0.338333 0.000000 Zr\n0.022130 0.661667 0.000000 Zr\n0.522130 0.838331 0.000000 Zr\n0.811193 0.161668 0.500000 Zr\n0.311192 0.338331 0.500000 Zr\n0.311192 0.661668 0.500000 Zr\n0.811193 0.838333 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Zr"
],
"chemical_system": "Ta-Zr",
"density": 9.38562718882162,
"density_atomic": 0.046661152078691315,
"volume": 257.1732472392173,
"volume_molar": 12.906112454840398,
"formula_full": "Zr8 Ta4",
"formula_reduced": "Zr2Ta",
"formula_anonymous": "AB2",
"formation_energy": 0.150822871666667,
"spacegroup": 63
}
]
}