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=5",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=3",
"results": [
{
"id": "oqmd-1610093",
"created_at": "2022-09-04T15:58:31.637055Z",
"updated_at": "2022-09-04T15:58:31.637084Z",
"structure_string": "Zr8 V16\n1.0\n5.253244 0.000000 0.000000\n-2.626622 4.549443 0.000000\n0.000000 0.000000 16.437250\nV Zr\n16 8\ndirect\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.333333 0.666667 0.126874 V\n0.163537 0.327073 0.250000 V\n0.163537 0.836463 0.250000 V\n0.672927 0.836463 0.250000 V\n0.333333 0.666667 0.373126 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.666667 0.333333 0.626874 V\n0.327073 0.163537 0.750000 V\n0.836463 0.163537 0.750000 V\n0.836463 0.672927 0.750000 V\n0.666667 0.333333 0.873126 V\n0.000000 0.000000 0.093809 Zr\n0.666667 0.333333 0.156181 Zr\n0.666667 0.333333 0.343819 Zr\n0.000000 0.000000 0.406191 Zr\n0.000000 0.000000 0.593809 Zr\n0.333333 0.666667 0.656181 Zr\n0.333333 0.666667 0.843819 Zr\n0.000000 0.000000 0.906191 Zr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"V",
"Zr"
],
"chemical_system": "V-Zr",
"density": 6.5301346973941765,
"density_atomic": 0.061093679167080035,
"volume": 392.8393301435389,
"volume_molar": 9.857223925785428,
"formula_full": "Zr8 V16",
"formula_reduced": "ZrV2",
"formula_anonymous": "AB2",
"formation_energy": 0.0399954170833337,
"spacegroup": 194
},
{
"id": "oqmd-654301",
"created_at": "2022-09-04T15:18:09.438103Z",
"updated_at": "2022-09-04T15:18:09.438113Z",
"structure_string": "Zr8 V12 Ge16\n1.0\n6.663532 0.000000 0.000000\n0.000000 12.798277 0.000000\n0.000000 0.000000 6.775073\nGe V Zr\n16 12 8\ndirect\n0.322865 0.543107 0.046732 Ge\n0.322865 0.956894 0.046732 Ge\n0.966517 0.750000 0.128241 Ge\n0.309450 0.250000 0.142046 Ge\n0.809449 0.250000 0.357955 Ge\n0.466517 0.750000 0.371758 Ge\n0.822865 0.543107 0.453269 Ge\n0.822865 0.956894 0.453269 Ge\n0.177134 0.043107 0.546731 Ge\n0.177134 0.456894 0.546731 Ge\n0.533483 0.250000 0.628241 Ge\n0.190551 0.750000 0.642045 Ge\n0.690551 0.750000 0.857954 Ge\n0.033484 0.250000 0.871759 Ge\n0.677135 0.043107 0.953268 Ge\n0.677135 0.456894 0.953268 Ge\n0.336797 0.750000 0.010170 V\n0.660485 0.625295 0.161811 V\n0.660485 0.874704 0.161811 V\n0.160485 0.625295 0.338190 V\n0.160485 0.874704 0.338190 V\n0.836796 0.750000 0.489829 V\n0.163203 0.250000 0.510170 V\n0.839514 0.125295 0.661810 V\n0.839514 0.374705 0.661810 V\n0.339514 0.125295 0.838189 V\n0.339514 0.374705 0.838189 V\n0.663204 0.250000 0.989830 V\n0.011087 0.092405 0.172333 Zr\n0.011087 0.407595 0.172333 Zr\n0.511086 0.092405 0.327666 Zr\n0.511086 0.407595 0.327666 Zr\n0.488913 0.592406 0.672334 Zr\n0.488913 0.907595 0.672334 Zr\n0.988914 0.592406 0.827666 Zr\n0.988914 0.907595 0.827666 Zr\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ge",
"V",
"Zr"
],
"chemical_system": "Ge-V-Zr",
"density": 7.1944438792712155,
"density_atomic": 0.062306381294160676,
"volume": 577.7899350314846,
"volume_molar": 9.66536755130793,
"formula_full": "Zr8 V12 Ge16",
"formula_reduced": "Zr2V3Ge4",
"formula_anonymous": "A2B3C4",
"formation_energy": -0.604989495277778,
"spacegroup": 62
},
{
"id": "oqmd-758258",
"created_at": "2022-09-04T15:26:17.197776Z",
"updated_at": "2022-09-04T15:26:17.197796Z",
"structure_string": "Zr8 U8\n1.0\n5.259546 0.000000 0.000000\n0.000000 13.264008 0.000000\n0.000000 0.000000 5.141047\nU Zr\n8 8\ndirect\n0.959155 0.258925 0.000000 U\n0.348270 0.375000 0.000000 U\n0.959155 0.491076 0.000000 U\n0.444886 0.875000 0.000000 U\n0.888879 0.375000 0.499999 U\n0.373722 0.759066 0.499999 U\n0.984676 0.875000 0.499999 U\n0.373722 0.990934 0.499999 U\n0.945350 0.002815 0.000000 Zr\n0.444852 0.121757 0.000000 Zr\n0.444852 0.628244 0.000000 Zr\n0.945350 0.747184 0.000000 Zr\n0.888693 0.128355 0.499999 Zr\n0.388169 0.247146 0.499999 Zr\n0.388169 0.502854 0.499999 Zr\n0.888693 0.621645 0.499999 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 12.195345238563313,
"density_atomic": 0.04461135099386309,
"volume": 358.6531150379423,
"volume_molar": 13.49912214231851,
"formula_full": "Zr8 U8",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"formation_energy": 0.221660988124999,
"spacegroup": 59
},
{
"id": "oqmd-758273",
"created_at": "2022-09-04T15:26:29.502784Z",
"updated_at": "2022-09-04T15:26:29.502810Z",
"structure_string": "Zr8 U8\n1.0\n5.021210 0.000000 0.000000\n0.000000 15.091577 0.000000\n0.000000 0.000000 4.714350\nU Zr\n8 8\ndirect\n0.951816 0.005935 0.000000 U\n0.951816 0.494066 0.000000 U\n0.494297 0.585362 0.000000 U\n0.494297 0.914637 0.000000 U\n0.839220 0.085396 0.500001 U\n0.839220 0.414604 0.500001 U\n0.381402 0.505899 0.500001 U\n0.381402 0.994101 0.500001 U\n0.411550 0.130297 0.000000 Zr\n0.898959 0.250000 0.000000 Zr\n0.411550 0.369704 0.000000 Zr\n0.908793 0.750000 0.000000 Zr\n0.424450 0.250000 0.500001 Zr\n0.921650 0.630260 0.500001 Zr\n0.434509 0.750000 0.500001 Zr\n0.921650 0.869739 0.500001 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 12.24345178968508,
"density_atomic": 0.04478732782725449,
"volume": 357.2439075113452,
"volume_molar": 13.446081854285888,
"formula_full": "Zr8 U8",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"formation_energy": 0.152599256875,
"spacegroup": 59
},
{
"id": "oqmd-758257",
"created_at": "2022-09-04T15:26:17.955248Z",
"updated_at": "2022-09-04T15:26:17.955258Z",
"structure_string": "Zr8 U8\n1.0\n10.418806 0.000000 0.000000\n0.000000 6.607308 0.000000\n0.000000 0.000000 5.171898\nU Zr\n8 8\ndirect\n0.686012 0.232750 0.000000 U\n0.497947 0.500001 0.000000 U\n0.891498 0.500001 0.000000 U\n0.686012 0.767252 0.000000 U\n0.168719 0.000000 0.499998 U\n0.775169 0.000000 0.499998 U\n0.980655 0.267253 0.499998 U\n0.980655 0.732748 0.499998 U\n0.420440 0.000000 0.000000 Zr\n0.954849 0.000000 0.000000 Zr\n0.186579 0.268239 0.000000 Zr\n0.186579 0.731759 0.000000 Zr\n0.480088 0.231762 0.499998 Zr\n0.246228 0.500001 0.499998 Zr\n0.711818 0.500001 0.499998 Zr\n0.480088 0.768240 0.499998 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 12.285030864594635,
"density_atomic": 0.04493942673618286,
"volume": 356.0348042249867,
"volume_molar": 13.400573165636954,
"formula_full": "Zr8 U8",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"formation_energy": 0.173941241249999,
"spacegroup": 59
},
{
"id": "oqmd-758255",
"created_at": "2022-09-04T15:25:11.917873Z",
"updated_at": "2022-09-04T15:25:11.917895Z",
"structure_string": "Zr8 U6\n1.0\n5.420253 6.253625 0.000000\n-2.710557 7.817407 0.000000\n0.000000 0.000000 5.325569\nU Zr\n6 8\ndirect\n0.688875 0.451153 0.000000 U\n0.308629 0.574612 0.000000 U\n0.431328 0.831146 0.000000 U\n0.520999 0.406582 0.499999 U\n0.643764 0.663743 0.499999 U\n0.263545 0.786928 0.499999 U\n0.991490 0.009184 0.000000 Zr\n0.570664 0.134475 0.000000 Zr\n0.142896 0.285639 0.000000 Zr\n0.866239 0.713557 0.000000 Zr\n0.381673 0.103409 0.499999 Zr\n0.960601 0.229229 0.499999 Zr\n0.086375 0.524510 0.499999 Zr\n0.809487 0.952399 0.499999 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 11.342362103110231,
"density_atomic": 0.044313694262369724,
"volume": 315.9294261748904,
"volume_molar": 13.589796247508705,
"formula_full": "Zr8 U6",
"formula_reduced": "Zr4U3",
"formula_anonymous": "A3B4",
"formation_energy": 0.237954652142857,
"spacegroup": 176
},
{
"id": "oqmd-758267",
"created_at": "2022-09-04T15:25:12.465507Z",
"updated_at": "2022-09-04T15:25:12.465543Z",
"structure_string": "Zr8 U6\n1.0\n5.408916 6.243726 0.000000\n-2.710742 7.810107 0.000000\n0.000000 0.000000 5.465517\nU Zr\n6 8\ndirect\n0.146545 0.311693 0.000000 U\n0.256036 0.574749 0.000000 U\n0.883951 0.684991 0.000000 U\n0.377273 0.069449 0.500000 U\n0.640029 0.695966 0.500000 U\n0.267536 0.806082 0.500000 U\n0.002667 0.006569 0.000000 Zr\n0.578100 0.133955 0.000000 Zr\n0.705574 0.431207 0.000000 Zr\n0.428735 0.857135 0.000000 Zr\n0.945735 0.246925 0.500000 Zr\n0.521122 0.374360 0.500000 Zr\n0.095036 0.523765 0.500000 Zr\n0.818229 0.949719 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 11.080659001133144,
"density_atomic": 0.04329124134267794,
"volume": 323.391050147558,
"volume_molar": 13.910760175091523,
"formula_full": "Zr8 U6",
"formula_reduced": "Zr4U3",
"formula_anonymous": "A3B4",
"formation_energy": 0.250663816428572,
"spacegroup": 176
},
{
"id": "oqmd-758263",
"created_at": "2022-09-04T15:24:21.358290Z",
"updated_at": "2022-09-04T15:24:21.358313Z",
"structure_string": "Zr8 U4\n1.0\n5.895818 0.000000 0.000000\n0.000000 9.112673 0.000000\n0.000000 0.000000 5.006959\nU Zr\n4 8\ndirect\n0.072763 0.000000 0.000000 U\n0.572742 0.500000 0.000000 U\n0.260583 0.000000 0.500000 U\n0.760559 0.500000 0.500000 U\n0.531012 0.169498 0.000000 Zr\n0.030981 0.330488 0.000000 Zr\n0.030981 0.669513 0.000000 Zr\n0.531012 0.830502 0.000000 Zr\n0.802342 0.169512 0.500000 Zr\n0.302313 0.330502 0.500000 Zr\n0.302313 0.669498 0.500000 Zr\n0.802342 0.830486 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 10.382151230491052,
"density_atomic": 0.04460847288135098,
"volume": 269.00719134495904,
"volume_molar": 13.49999309776331,
"formula_full": "Zr8 U4",
"formula_reduced": "Zr2U",
"formula_anonymous": "AB2",
"formation_energy": 0.187767785833335,
"spacegroup": 63
},
{
"id": "oqmd-758253",
"created_at": "2022-09-04T15:24:21.538016Z",
"updated_at": "2022-09-04T15:24:21.538041Z",
"structure_string": "Zr8 U4\n1.0\n5.819444 0.000000 0.000000\n0.000000 9.224673 0.000000\n0.000000 0.000000 5.106935\nU Zr\n4 8\ndirect\n0.023968 0.698540 0.000000 U\n0.023968 0.968126 0.000000 U\n0.809354 0.198539 0.500001 U\n0.809354 0.468126 0.500001 U\n0.558801 0.160766 0.000000 Zr\n0.040315 0.333333 0.000000 Zr\n0.558801 0.505899 0.000000 Zr\n0.502741 0.833334 0.000000 Zr\n0.274523 0.005900 0.500001 Zr\n0.330581 0.333333 0.500001 Zr\n0.274523 0.660767 0.500001 Zr\n0.793011 0.833334 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 10.187284552670672,
"density_atomic": 0.04377119891759865,
"volume": 274.15287441841764,
"volume_molar": 13.75822666255262,
"formula_full": "Zr8 U4",
"formula_reduced": "Zr2U",
"formula_anonymous": "AB2",
"formation_energy": 0.149483685000001,
"spacegroup": 59
},
{
"id": "oqmd-758269",
"created_at": "2022-09-04T15:24:20.148353Z",
"updated_at": "2022-09-04T15:24:20.148370Z",
"structure_string": "Zr8 U4\n1.0\n17.418724 0.000000 0.000000\n0.000000 3.010685 0.000000\n0.000000 0.000000 5.082455\nU Zr\n4 8\ndirect\n0.685426 0.000000 0.000000 U\n0.185357 0.499999 0.000000 U\n0.759084 0.000000 0.500001 U\n0.259014 0.499999 0.500001 U\n0.015317 0.000000 0.000000 Zr\n0.344770 0.000000 0.000000 Zr\n0.515312 0.499999 0.000000 Zr\n0.844843 0.499999 0.000000 Zr\n0.099597 0.000000 0.500001 Zr\n0.429128 0.000000 0.500001 Zr\n0.599671 0.499999 0.500001 Zr\n0.929124 0.499999 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 10.478425792584975,
"density_atomic": 0.04502213100450737,
"volume": 266.5355844395421,
"volume_molar": 13.375956725364901,
"formula_full": "Zr8 U4",
"formula_reduced": "Zr2U",
"formula_anonymous": "AB2",
"formation_energy": 0.13761629,
"spacegroup": 63
},
{
"id": "oqmd-758280",
"created_at": "2022-09-04T15:24:21.188836Z",
"updated_at": "2022-09-04T15:24:21.188863Z",
"structure_string": "Zr8 U4\n1.0\n17.192683 0.000000 0.000000\n0.000000 3.000501 0.000000\n0.000000 0.000000 5.336976\nU Zr\n4 8\ndirect\n0.345077 0.000000 0.000000 U\n0.845229 0.500000 0.000000 U\n0.099210 0.000000 0.500000 U\n0.599363 0.500000 0.500000 U\n0.010007 0.000000 0.000000 Zr\n0.678418 0.000000 0.000000 Zr\n0.178332 0.500000 0.000000 Zr\n0.510049 0.500000 0.000000 Zr\n0.434392 0.000000 0.500000 Zr\n0.766108 0.000000 0.500000 Zr\n0.266022 0.500000 0.500000 Zr\n0.934433 0.500000 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 10.144217668106299,
"density_atomic": 0.04358615557643329,
"volume": 275.3167798650338,
"volume_molar": 13.816636682809731,
"formula_full": "Zr8 U4",
"formula_reduced": "Zr2U",
"formula_anonymous": "AB2",
"formation_energy": 0.231746213333334,
"spacegroup": 63
},
{
"id": "oqmd-758194",
"created_at": "2022-09-04T15:26:17.214967Z",
"updated_at": "2022-09-04T15:26:17.214995Z",
"structure_string": "Zr8 Tl8\n1.0\n5.566923 0.000000 0.000000\n0.000000 12.882972 0.000000\n0.000000 0.000000 5.316854\nTl Zr\n8 8\ndirect\n0.003321 0.232159 0.000000 Tl\n0.469408 0.375000 0.000000 Tl\n0.003321 0.517841 0.000000 Tl\n0.466293 0.875000 0.000000 Tl\n0.329913 0.017768 0.500001 Tl\n0.867032 0.375000 0.500001 Tl\n0.329913 0.732232 0.500001 Tl\n0.863930 0.875000 0.500001 Tl\n0.505301 0.125944 0.000000 Zr\n0.505301 0.624056 0.000000 Zr\n0.964156 0.755945 0.000000 Zr\n0.964156 0.994055 0.000000 Zr\n0.828059 0.123916 0.500001 Zr\n0.369215 0.255887 0.500001 Zr\n0.369215 0.494113 0.500001 Zr\n0.828059 0.626084 0.500001 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Zr"
],
"chemical_system": "Tl-Zr",
"density": 10.29836374081312,
"density_atomic": 0.04195985421624495,
"volume": 381.31686343670674,
"volume_molar": 14.35214891110966,
"formula_full": "Zr8 Tl8",
"formula_reduced": "ZrTl",
"formula_anonymous": "AB",
"formation_energy": 0.0791065700000004,
"spacegroup": 59
}
]
}