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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=67",
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{
"id": "oqmd-825093",
"created_at": "2022-09-04T15:22:43.956883Z",
"updated_at": "2022-09-04T15:22:43.956919Z",
"structure_string": "Mn4 O11\n1.0\n-4.858420 -8.286072 -0.106966\n-2.496857 4.193396 0.235952\n1.838344 -0.152639 -4.111888\nMn O\n4 11\ndirect\n0.603474 0.958828 0.060891 Mn\n0.263996 0.465656 0.940936 Mn\n0.088640 0.802008 0.952962 Mn\n0.911115 0.133196 0.960220 Mn\n0.485238 0.607195 0.168549 O\n0.135568 0.244625 0.190355 O\n0.293605 0.889232 0.193430 O\n0.971123 0.592363 0.196319 O\n0.790756 0.953969 0.214749 O\n0.624159 0.295265 0.310776 O\n0.209262 0.019993 0.706469 O\n0.885265 0.728851 0.707101 O\n0.040290 0.360428 0.711937 O\n0.391803 0.735224 0.738857 O\n0.697756 0.050580 0.758680 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 3.962112880158296,
"density_atomic": 0.09043841303130125,
"volume": 165.85872636673108,
"volume_molar": 6.658830643031854,
"formula_full": "Mn4 O11",
"formula_reduced": "Mn4O11",
"formula_anonymous": "A4B11",
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"spacegroup": 1
},
{
"id": "oqmd-825039",
"created_at": "2022-09-04T15:22:43.960846Z",
"updated_at": "2022-09-04T15:22:43.960870Z",
"structure_string": "Mn4 O12\n1.0\n-2.350890 -4.168647 0.078712\n-2.453298 4.225713 0.075007\n3.530626 -0.034498 -8.374695\nMn O\n4 12\ndirect\n0.328465 0.600412 0.232285 Mn\n0.215076 0.897991 0.514764 Mn\n0.902180 0.237460 0.515287 Mn\n0.084432 0.787551 0.979043 Mn\n0.502905 0.821419 0.096121 O\n0.917017 0.509586 0.106237 O\n0.295561 0.212444 0.149829 O\n0.443136 0.051707 0.368492 O\n0.809301 0.828937 0.377714 O\n0.116380 0.476183 0.386341 O\n0.974837 0.649169 0.625518 O\n0.649562 0.011377 0.631673 O\n0.300921 0.303569 0.638917 O\n0.296947 0.992847 0.857999 O\n0.974851 0.367779 0.868276 O\n0.686088 0.743926 0.901497 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.104802802715847,
"density_atomic": 0.09605829425209726,
"volume": 166.56552278566687,
"volume_molar": 6.269256399864209,
"formula_full": "Mn4 O12",
"formula_reduced": "MnO3",
"formula_anonymous": "AB3",
"formation_energy": -0.814712872462033,
"spacegroup": 1
},
{
"id": "oqmd-825032",
"created_at": "2022-09-04T15:22:44.023315Z",
"updated_at": "2022-09-04T15:22:44.023339Z",
"structure_string": "Rh4 O12\n1.0\n-2.593645 -4.322134 0.103164\n-2.610177 4.332728 0.012090\n3.732319 0.080560 -8.849922\nO Rh\n12 4\ndirect\n0.954953 0.646538 0.103056 O\n0.234437 0.196307 0.117357 O\n0.601312 0.930845 0.130488 O\n0.790308 0.791860 0.377145 O\n0.377039 0.056363 0.389619 O\n0.053413 0.394813 0.393500 O\n0.960669 0.584904 0.631936 O\n0.205801 0.199674 0.638460 O\n0.597416 0.970314 0.638618 O\n0.761058 0.739057 0.833432 O\n0.088959 0.429575 0.890659 O\n0.423662 0.095137 0.899324 O\n0.988804 0.004395 0.226863 Rh\n0.824998 0.165262 0.516340 Rh\n0.172051 0.826303 0.517643 Rh\n0.131792 0.802023 0.945563 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"O",
"Rh"
],
"chemical_system": "O-Rh",
"density": 5.0773885177647715,
"density_atomic": 0.08104969820555462,
"volume": 197.4097418527274,
"volume_molar": 7.430182830202423,
"formula_full": "Rh4 O12",
"formula_reduced": "RhO3",
"formula_anonymous": "AB3",
"formation_energy": -0.428197042534066,
"spacegroup": 1
},
{
"id": "oqmd-825072",
"created_at": "2022-09-04T15:22:44.026333Z",
"updated_at": "2022-09-04T15:22:44.026362Z",
"structure_string": "Co4 O11\n1.0\n-4.792873 -8.230118 0.084291\n-2.373502 4.102205 0.014786\n1.677159 0.018056 -4.150543\nCo O\n4 11\ndirect\n0.243261 0.537270 0.016241 Co\n0.442227 0.185399 0.032908 Co\n0.589361 0.833979 0.988066 Co\n0.917249 0.173168 0.998052 Co\n0.449980 0.570498 0.208521 O\n0.133164 0.270132 0.218070 O\n0.292493 0.938075 0.223495 O\n0.789040 0.930756 0.227373 O\n0.959122 0.556990 0.241311 O\n0.627443 0.238486 0.245964 O\n0.043865 0.386567 0.748645 O\n0.704945 0.045759 0.750043 O\n0.520566 0.403789 0.759999 O\n0.371477 0.763723 0.766101 O\n0.887147 0.783561 0.771977 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.222991735799698,
"density_atomic": 0.0926518104948697,
"volume": 161.89645857843843,
"volume_molar": 6.499755080699105,
"formula_full": "Co4 O11",
"formula_reduced": "Co4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.328140002827274,
"spacegroup": 1
},
{
"id": "oqmd-825091",
"created_at": "2022-09-04T15:22:44.032633Z",
"updated_at": "2022-09-04T15:22:44.032654Z",
"structure_string": "Pd4 O11\n1.0\n-4.408762 -8.121705 0.170697\n-2.643753 4.335371 0.442445\n2.017459 -0.262645 -4.429873\nO Pd\n11 4\ndirect\n0.169923 0.217384 0.079864 O\n0.009268 0.624718 0.162466 O\n0.834053 0.000000 0.281907 O\n0.693755 0.452184 0.397546 O\n0.163550 0.838229 0.454642 O\n0.530805 0.790414 0.509929 O\n0.983059 0.214001 0.576332 O\n0.815047 0.602873 0.700086 O\n0.662571 0.052100 0.809655 O\n0.323421 0.753809 0.884776 O\n0.481191 0.459436 0.897695 O\n0.576695 0.940353 0.165769 Pd\n0.315852 0.344925 0.509777 Pd\n0.091545 0.736226 0.810569 Pd\n0.912083 0.109314 0.938471 Pd\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Pd"
],
"chemical_system": "O-Pd",
"density": 5.854623301766269,
"density_atomic": 0.08789826581712758,
"volume": 170.65183096111946,
"volume_molar": 6.851262313330583,
"formula_full": "Pd4 O11",
"formula_reduced": "Pd4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.32145627964442,
"spacegroup": 1
},
{
"id": "oqmd-824988",
"created_at": "2022-09-04T15:22:44.060783Z",
"updated_at": "2022-09-04T15:22:44.060803Z",
"structure_string": "Li6 Ir4 O12\n1.0\n-2.575957 -4.283785 0.075026\n-2.621764 4.313470 -0.055478\n3.558898 0.127097 -9.628918\nIr Li O\n4 6 12\ndirect\n0.998841 0.023156 0.240395 Ir\n0.815709 0.146317 0.506603 Ir\n0.128340 0.832044 0.507751 Ir\n0.183900 0.846257 0.983283 Ir\n0.317121 0.633593 0.221372 Li\n0.689273 0.357734 0.223305 Li\n0.485065 0.498878 0.527008 Li\n0.388570 0.690636 0.765649 Li\n0.687017 0.303590 0.772710 Li\n0.515532 0.499008 0.985411 Li\n0.250789 0.228278 0.120580 O\n0.951847 0.646626 0.121852 O\n0.576559 0.925370 0.130226 O\n0.732626 0.759117 0.358175 O\n0.045927 0.406074 0.387498 O\n0.380578 0.076037 0.390582 O\n0.893023 0.542878 0.614585 O\n0.538088 0.901010 0.616640 O\n0.230495 0.237701 0.631364 O\n0.785104 0.739882 0.874608 O\n0.130336 0.470744 0.884771 O\n0.426602 0.083749 0.885633 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ir",
"Li",
"O"
],
"chemical_system": "Ir-Li-O",
"density": 7.750588937293675,
"density_atomic": 0.10242853480166396,
"volume": 214.78389828185465,
"volume_molar": 5.879358492885687,
"formula_full": "Li6 Ir4 O12",
"formula_reduced": "Li3(IrO3)2",
"formula_anonymous": "A2B3C6",
"formation_energy": -1.37376840866114,
"spacegroup": 1
},
{
"id": "oqmd-825094",
"created_at": "2022-09-04T15:22:44.090621Z",
"updated_at": "2022-09-04T15:22:44.090650Z",
"structure_string": "Mn4 O11\n1.0\n-5.042261 -8.402666 0.093042\n-2.457680 4.166111 0.206867\n1.908646 -0.061734 -4.165381\nMn O\n4 11\ndirect\n0.924492 0.166133 0.000279 Mn\n0.606772 0.917149 0.017946 Mn\n0.311012 0.307686 0.574158 Mn\n0.078909 0.808290 0.949945 Mn\n0.980119 0.620233 0.210729 O\n0.136148 0.248088 0.225093 O\n0.313549 0.029430 0.248211 O\n0.815690 0.994494 0.256292 O\n0.600531 0.177169 0.313377 O\n0.179773 0.986531 0.678608 O\n0.402649 0.750372 0.682555 O\n0.881065 0.752580 0.719495 O\n0.027735 0.373479 0.732786 O\n0.710704 0.064549 0.771509 O\n0.505906 0.474232 0.931253 O\n",
"nsites": 15,
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"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 3.879003222681832,
"density_atomic": 0.08854136825819874,
"volume": 169.41233566955898,
"volume_molar": 6.801499545883021,
"formula_full": "Mn4 O11",
"formula_reduced": "Mn4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.965312242900919,
"spacegroup": 1
},
{
"id": "oqmd-825088",
"created_at": "2022-09-04T15:22:44.120141Z",
"updated_at": "2022-09-04T15:22:44.120167Z",
"structure_string": "Ir4 O11\n1.0\n-4.823136 -8.621186 0.061313\n-2.606607 4.427590 -0.142828\n1.611584 0.046659 -4.404504\nIr O\n4 11\ndirect\n0.585589 0.843779 0.000481 Ir\n0.395831 0.168305 0.030147 Ir\n0.143792 0.650456 0.458686 Ir\n0.935106 0.176936 0.964118 Ir\n0.940555 0.535924 0.195285 O\n0.799029 0.945757 0.210341 O\n0.592640 0.186474 0.225263 O\n0.465830 0.578925 0.245743 O\n0.269631 0.905665 0.250617 O\n0.043422 0.398390 0.696331 O\n0.712350 0.038510 0.739876 O\n0.199643 0.053212 0.744452 O\n0.372361 0.801112 0.768481 O\n0.511761 0.427815 0.787243 O\n0.025200 0.956553 0.975216 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 8.064942819688197,
"density_atomic": 0.07710372267027381,
"volume": 194.54313592802734,
"volume_molar": 7.810440989669292,
"formula_full": "Ir4 O11",
"formula_reduced": "Ir4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.67816709164442,
"spacegroup": 1
},
{
"id": "oqmd-825060",
"created_at": "2022-09-04T15:22:44.121922Z",
"updated_at": "2022-09-04T15:22:44.121944Z",
"structure_string": "Pt4 O11\n1.0\n-5.501617 -9.591020 -0.170665\n-2.386653 4.589978 0.207705\n1.850415 -0.064015 -4.177992\nO Pt\n11 4\ndirect\n0.501126 0.435452 0.025433 O\n0.959235 0.583855 0.186446 O\n0.124400 0.291781 0.201691 O\n0.273019 0.923839 0.227284 O\n0.800123 0.949327 0.230976 O\n0.629752 0.203511 0.312500 O\n0.889917 0.758484 0.708635 O\n0.028996 0.405842 0.715233 O\n0.689813 0.960117 0.718214 O\n0.398329 0.728261 0.745871 O\n0.201558 0.113579 0.752642 O\n0.596853 0.848586 0.021858 Pt\n0.908052 0.142341 0.960522 Pt\n0.082342 0.848258 0.968782 Pt\n0.266655 0.564608 0.976487 Pt\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Pt"
],
"chemical_system": "O-Pt",
"density": 7.987877131808374,
"density_atomic": 0.07545117897341468,
"volume": 198.804050567391,
"volume_molar": 7.981506507833242,
"formula_full": "Pt4 O11",
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"formation_energy": -0.262582320311087,
"spacegroup": 1
},
{
"id": "oqmd-825101",
"created_at": "2022-09-04T15:22:44.162073Z",
"updated_at": "2022-09-04T15:22:44.162098Z",
"structure_string": "Ru4 O11\n1.0\n-5.180456 -8.857213 0.199201\n-2.560437 4.407408 0.003610\n1.828159 0.056690 -4.399572\nO Ru\n11 4\ndirect\n0.988802 0.618668 0.213958 O\n0.803498 0.984341 0.226763 O\n0.115800 0.234252 0.233555 O\n0.291546 0.943091 0.261714 O\n0.593192 0.157927 0.285372 O\n0.394818 0.728999 0.705473 O\n0.205375 0.027616 0.736667 O\n0.011951 0.427450 0.749765 O\n0.911072 0.842227 0.756825 O\n0.681627 0.044169 0.769698 O\n0.534184 0.402624 0.857514 O\n0.926588 0.202846 0.010417 Ru\n0.584682 0.815934 0.021201 Ru\n0.478501 0.053207 0.539273 Ru\n0.103706 0.879723 0.974291 Ru\n",
"nsites": 15,
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"elements": [
"O",
"Ru"
],
"chemical_system": "O-Ru",
"density": 4.853351869572535,
"density_atomic": 0.07555292417283486,
"volume": 198.53632621400595,
"volume_molar": 7.970758016226811,
"formula_full": "Ru4 O11",
"formula_reduced": "Ru4O11",
"formula_anonymous": "A4B11",
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"spacegroup": 1
},
{
"id": "oqmd-825106",
"created_at": "2022-09-04T15:22:44.178836Z",
"updated_at": "2022-09-04T15:22:44.178860Z",
"structure_string": "Fe4 O11\n1.0\n-4.162663 -7.567020 0.104076\n-2.706570 4.177557 0.345745\n1.963657 -0.300496 -4.398187\nFe O\n4 11\ndirect\n0.589477 0.871964 0.001912 Fe\n0.404537 0.242753 0.150470 Fe\n0.105346 0.647077 0.572529 Fe\n0.941325 0.087757 0.844373 Fe\n0.816126 0.921107 0.106032 O\n0.051181 0.526599 0.145320 O\n0.680882 0.367635 0.267395 O\n0.523282 0.756042 0.354662 O\n0.340359 0.174267 0.499230 O\n0.995700 0.202816 0.527995 O\n0.823229 0.562679 0.558058 O\n0.661615 0.970378 0.658122 O\n0.489543 0.376925 0.783236 O\n0.356050 0.809819 0.857746 O\n0.154999 0.054924 0.916185 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.139096316047012,
"density_atomic": 0.09361998311497406,
"volume": 160.2222036461874,
"volume_molar": 6.432537754898173,
"formula_full": "Fe4 O11",
"formula_reduced": "Fe4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.901171260554885,
"spacegroup": 1
},
{
"id": "oqmd-825104",
"created_at": "2022-09-04T15:22:44.188044Z",
"updated_at": "2022-09-04T15:22:44.188076Z",
"structure_string": "Fe4 O11\n1.0\n-4.658777 -8.454703 0.958065\n-2.572254 4.348952 0.320812\n2.372121 0.014219 -4.284543\nFe O\n4 11\ndirect\n0.035941 0.046301 0.545124 Fe\n0.569399 0.804434 0.972987 Fe\n0.313856 0.877530 0.976048 Fe\n0.919646 0.253371 0.984367 Fe\n0.947166 0.657727 0.160079 O\n0.569946 0.178317 0.161404 O\n0.847497 0.075291 0.231976 O\n0.533908 0.681236 0.320122 O\n0.371032 0.090298 0.456049 O\n0.627297 0.959850 0.637625 O\n0.288916 0.516289 0.644653 O\n0.873246 0.852340 0.683883 O\n0.542689 0.381076 0.719733 O\n0.217967 0.061967 0.837159 O\n0.109144 0.470713 0.912057 O\n",
"nsites": 15,
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"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.0522634315513715,
"density_atomic": 0.09165595701855549,
"volume": 163.6554839197554,
"volume_molar": 6.570375735404557,
"formula_full": "Fe4 O11",
"formula_reduced": "Fe4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.853525499221551,
"spacegroup": 1
}
]
}