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=formation_energy&page=81",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=79",
"results": [
{
"id": "oqmd-1712415",
"created_at": "2022-09-04T16:00:24.424697Z",
"updated_at": "2022-09-04T16:00:24.424724Z",
"structure_string": "Gd1 Ti1 F6\n1.0\n4.927306 0.000000 0.000000\n-2.432510 4.285553 0.000000\n-2.459925 -1.399500 4.720177\nF Gd Ti\n6 1 1\ndirect\n0.804328 0.085194 0.257262 F\n0.537138 0.455970 0.259326 F\n0.180858 0.726110 0.262398 F\n0.819142 0.273890 0.737602 F\n0.462862 0.544030 0.740674 F\n0.195672 0.914806 0.742738 F\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Gd",
"Ti"
],
"chemical_system": "F-Gd-Ti",
"density": 5.316322400035564,
"density_atomic": 0.08026298331735965,
"volume": 99.67234794111775,
"volume_molar": 7.503011364763841,
"formula_full": "Gd1 Ti1 F6",
"formula_reduced": "GdTiF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.869685270759113,
"spacegroup": 148
},
{
"id": "oqmd-1715110",
"created_at": "2022-09-04T16:00:56.904701Z",
"updated_at": "2022-09-04T16:00:56.904727Z",
"structure_string": "Tm2 Pb1 F8\n1.0\n-2.597925 2.597925 5.748201\n2.597925 -2.597925 5.748201\n2.597925 2.597925 -5.748201\nF Pb Tm\n8 1 2\ndirect\n0.010170 0.418931 0.047292 F\n0.716598 0.305307 0.145899 F\n0.037121 0.989830 0.408761 F\n0.694693 0.840592 0.411292 F\n0.429301 0.283402 0.588708 F\n0.581069 0.628360 0.591239 F\n0.159408 0.570699 0.854101 F\n0.371640 0.962879 0.952708 F\n0.000000 0.000000 0.000000 Pb\n0.327703 0.327703 0.000000 Tm\n0.672297 0.672297 0.000000 Tm\n",
"nsites": 11,
"nelements": 3,
"elements": [
"F",
"Pb",
"Tm"
],
"chemical_system": "F-Pb-Tm",
"density": 7.458841711881513,
"density_atomic": 0.07088388781301032,
"volume": 155.1833616832317,
"volume_molar": 8.495782251512836,
"formula_full": "Tm2 Pb1 F8",
"formula_reduced": "Tm2PbF8",
"formula_anonymous": "AB2C8",
"formation_energy": -3.869322443004441,
"spacegroup": 82
},
{
"id": "oqmd-19749",
"created_at": "2022-09-04T15:16:48.142673Z",
"updated_at": "2022-09-04T15:16:48.142707Z",
"structure_string": "La4 Hf4 O14\n1.0\n5.356025 5.356025 0.000000\n-5.356025 0.000000 5.356025\n5.356025 -5.356025 0.000000\nHf La O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.830866 0.161732 0.080866 O\n0.419134 0.750000 0.080866 O\n0.830866 0.750000 0.080866 O\n0.580866 0.250001 0.330866 O\n0.580866 0.661731 0.330866 O\n0.169135 0.250001 0.330867 O\n0.124999 0.750000 0.375000 O\n0.875001 0.250001 0.625000 O\n0.419134 0.338268 0.669134 O\n0.419134 0.750000 0.669134 O\n0.830866 0.750000 0.669134 O\n0.169134 0.250001 0.919134 O\n0.580866 0.250001 0.919134 O\n0.169134 0.838267 0.919134 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hf",
"La",
"O"
],
"chemical_system": "Hf-La-O",
"density": 8.070824599190948,
"density_atomic": 0.07159206654182737,
"volume": 307.296619062485,
"volume_molar": 8.411743159392655,
"formula_full": "La4 Hf4 O14",
"formula_reduced": "La2Hf2O7",
"formula_anonymous": "A2B2C7",
"formation_energy": -3.86920035101375,
"spacegroup": 227
},
{
"id": "oqmd-1021338",
"created_at": "2022-09-04T15:28:06.665472Z",
"updated_at": "2022-09-04T15:28:06.665488Z",
"structure_string": "Hf4 O4 F8\n1.0\n5.126342 0.000000 0.000000\n0.000000 7.201723 0.000000\n0.000000 0.000000 5.322012\nF Hf O\n8 4 4\ndirect\n0.198442 0.406686 0.281751 F\n0.698441 0.593314 0.281751 F\n0.691852 0.270053 0.481138 F\n0.191850 0.729946 0.481138 F\n0.301558 0.406686 0.781751 F\n0.801558 0.593314 0.781751 F\n0.808147 0.270053 0.981137 F\n0.308150 0.729946 0.981137 F\n0.018067 0.178488 0.295713 Hf\n0.518067 0.821512 0.295713 Hf\n0.481930 0.178488 0.795712 Hf\n0.981932 0.821512 0.795712 Hf\n0.348291 0.067152 0.123399 O\n0.848291 0.932848 0.123399 O\n0.151709 0.067152 0.623400 O\n0.651708 0.932848 0.623400 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"F",
"Hf",
"O"
],
"chemical_system": "F-Hf-O",
"density": 7.859346582162932,
"density_atomic": 0.0814329454614325,
"volume": 196.4806738763707,
"volume_molar": 7.395214216894746,
"formula_full": "Hf4 O4 F8",
"formula_reduced": "HfOF2",
"formula_anonymous": "ABC2",
"formation_energy": -3.86880401916024,
"spacegroup": 29
},
{
"id": "oqmd-1712417",
"created_at": "2022-09-04T16:00:25.075530Z",
"updated_at": "2022-09-04T16:00:25.075546Z",
"structure_string": "La1 Ti1 F6\n1.0\n4.993057 0.000000 0.000000\n-2.450444 4.363622 0.000000\n-2.484028 -1.428153 4.802285\nF La Ti\n6 1 1\ndirect\n0.556336 0.473109 0.260419 F\n0.180243 0.701769 0.261054 F\n0.784498 0.080258 0.264147 F\n0.215502 0.919742 0.735853 F\n0.819757 0.298231 0.738946 F\n0.443664 0.526891 0.739581 F\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"La",
"Ti"
],
"chemical_system": "F-La-Ti",
"density": 4.773223482612526,
"density_atomic": 0.07645896414314325,
"volume": 104.63128934133528,
"volume_molar": 7.876304403922609,
"formula_full": "La1 Ti1 F6",
"formula_reduced": "LaTiF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.8686127398216126,
"spacegroup": 148
},
{
"id": "oqmd-1715531",
"created_at": "2022-09-04T16:00:37.211022Z",
"updated_at": "2022-09-04T16:00:37.211036Z",
"structure_string": "Y1 Ti1 F6\n1.0\n4.897901 0.000000 0.000000\n-2.443811 4.248310 0.000000\n-0.017405 -2.821571 4.745062\nF Ti Y\n6 1 1\ndirect\n0.772481 0.189964 0.239062 F\n0.046883 0.821079 0.241039 F\n0.416315 0.466931 0.241119 F\n0.583685 0.533069 0.758881 F\n0.953117 0.178921 0.758961 F\n0.227519 0.810036 0.760938 F\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Y\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Ti",
"Y"
],
"chemical_system": "F-Ti-Y",
"density": 4.217401292534541,
"density_atomic": 0.08102553237514062,
"volume": 98.73430961194738,
"volume_molar": 7.432398879057101,
"formula_full": "Y1 Ti1 F6",
"formula_reduced": "YTiF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.868249792946613,
"spacegroup": 148
},
{
"id": "oqmd-20298",
"created_at": "2022-09-04T14:49:25.864557Z",
"updated_at": "2022-09-04T14:49:25.864580Z",
"structure_string": "Lu2 O3\n1.0\n3.542549 -0.000157 0.000102\n-1.771411 3.068173 0.000000\n0.000166 0.000096 5.702997\nLu O\n2 3\ndirect\n0.333352 0.666676 0.249138 Lu\n0.666646 0.333323 0.750862 Lu\n0.000000 0.000000 0.000000 O\n0.666664 0.333332 0.354116 O\n0.333335 0.666667 0.645884 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Lu",
"O"
],
"chemical_system": "Lu-O",
"density": 10.660324883546535,
"density_atomic": 0.08066446623097262,
"volume": 61.985161913588136,
"volume_molar": 7.465667401500374,
"formula_full": "Lu2 O3",
"formula_reduced": "Lu2O3",
"formula_anonymous": "A2B3",
"formation_energy": -3.86784545552725,
"spacegroup": 164
},
{
"id": "oqmd-1373567",
"created_at": "2022-09-04T15:50:22.993983Z",
"updated_at": "2022-09-04T15:50:22.994001Z",
"structure_string": "Na2 Tb2 F8\n1.0\n-2.659521 2.659521 5.291569\n2.659521 -2.659521 5.291569\n2.659521 2.659521 -5.291569\nF Na Tb\n8 2 2\ndirect\n0.875000 0.385506 0.010506 F\n0.135506 0.625000 0.010506 F\n0.614495 0.625000 0.489494 F\n0.875000 0.864494 0.489494 F\n0.135506 0.125000 0.510505 F\n0.375000 0.385505 0.510505 F\n0.614494 0.125000 0.989494 F\n0.375000 0.864494 0.989494 F\n0.000000 0.000000 0.000000 Na\n0.749999 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Tb\n0.250000 0.749999 0.500000 Tb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"Na",
"Tb"
],
"chemical_system": "F-Na-Tb",
"density": 5.721288353691142,
"density_atomic": 0.08015487539761805,
"volume": 149.71016972420622,
"volume_molar": 7.513130960688835,
"formula_full": "Na2 Tb2 F8",
"formula_reduced": "NaTbF4",
"formula_anonymous": "ABC4",
"formation_energy": -3.86668103617379,
"spacegroup": 141
},
{
"id": "oqmd-1444387",
"created_at": "2022-09-04T15:50:39.500972Z",
"updated_at": "2022-09-04T15:50:39.500989Z",
"structure_string": "Ba2 F4\n1.0\n3.606539 0.000000 0.000000\n0.000000 4.539310 0.000000\n0.000000 0.000000 6.735413\nBa F\n2 4\ndirect\n0.000000 0.823753 0.198478 Ba\n0.000000 0.176247 0.698478 Ba\n0.000000 0.330136 0.345320 F\n0.500000 0.861080 0.489202 F\n0.000000 0.669864 0.845320 F\n0.500000 0.138920 0.989203 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 5.280502804592064,
"density_atomic": 0.054413485259268646,
"volume": 110.26678352638653,
"volume_molar": 11.067368192472482,
"formula_full": "Ba2 F4",
"formula_reduced": "BaF2",
"formula_anonymous": "AB2",
"formation_energy": -3.86620128442074,
"spacegroup": 26
},
{
"id": "oqmd-1473155",
"created_at": "2022-09-04T15:55:08.775392Z",
"updated_at": "2022-09-04T15:55:08.775412Z",
"structure_string": "Zr2 F8\n1.0\n4.810790 0.000000 0.000000\n0.000000 4.940205 0.000000\n-1.563399 0.000000 4.685679\nF Zr\n8 2\ndirect\n0.242750 0.571452 0.008938 F\n0.237206 0.070426 0.140218 F\n0.762794 0.070426 0.359782 F\n0.757250 0.571452 0.491062 F\n0.242750 0.428548 0.508938 F\n0.237206 0.929574 0.640218 F\n0.762794 0.929574 0.859782 F\n0.757250 0.428548 0.991062 F\n0.000000 0.748475 0.250000 Zr\n0.000000 0.251525 0.750000 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"F",
"Zr"
],
"chemical_system": "F-Zr",
"density": 4.986860373188482,
"density_atomic": 0.08979788260733214,
"volume": 111.36120039408907,
"volume_molar": 6.706328239757718,
"formula_full": "Zr2 F8",
"formula_reduced": "ZrF4",
"formula_anonymous": "AB4",
"formation_energy": -3.865839097304885,
"spacegroup": 13
},
{
"id": "oqmd-1440561",
"created_at": "2022-09-04T15:50:41.442400Z",
"updated_at": "2022-09-04T15:50:41.442428Z",
"structure_string": "Pu2 F6\n1.0\n5.950049 0.000000 0.000000\n0.000000 3.661464 0.000000\n-2.968048 0.000000 5.157465\nF Pu\n6 2\ndirect\n0.197875 0.750001 0.087144 F\n0.889316 0.750001 0.302032 F\n0.587330 0.250001 0.389377 F\n0.412670 0.750001 0.610622 F\n0.110683 0.250001 0.697967 F\n0.802125 0.250001 0.912857 F\n0.166732 0.250001 0.333201 Pu\n0.833268 0.750001 0.666800 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Pu"
],
"chemical_system": "F-Pu",
"density": 8.896661703151723,
"density_atomic": 0.07119973658078584,
"volume": 112.359966260871,
"volume_molar": 8.458094157647702,
"formula_full": "Pu2 F6",
"formula_reduced": "PuF3",
"formula_anonymous": "AB3",
"formation_energy": -3.86515018309833,
"spacegroup": 176
},
{
"id": "oqmd-1709934",
"created_at": "2022-09-04T16:00:13.926909Z",
"updated_at": "2022-09-04T16:00:13.926936Z",
"structure_string": "Tb1 Hf1 F6\n1.0\n0.000000 4.169819 4.169819\n4.169819 0.000000 4.169819\n4.169819 4.169819 0.000000\nF Hf Tb\n6 1 1\ndirect\n0.241926 0.758074 0.241926 F\n0.758074 0.758074 0.241926 F\n0.758074 0.241926 0.241926 F\n0.241926 0.241926 0.758074 F\n0.758074 0.241926 0.758074 F\n0.241926 0.758074 0.758074 F\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Tb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Hf",
"Tb"
],
"chemical_system": "F-Hf-Tb",
"density": 5.169334021230667,
"density_atomic": 0.05517068543848984,
"volume": 145.0045424742684,
"volume_molar": 10.915472070243036,
"formula_full": "Tb1 Hf1 F6",
"formula_reduced": "TbHfF6",
"formula_anonymous": "ABC6",
"formation_energy": -3.8640365380566633,
"spacegroup": 225
}
]
}