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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=44",
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"results": [
{
"id": "oqmd-694330",
"created_at": "2022-09-04T15:18:01.308842Z",
"updated_at": "2022-09-04T15:18:01.308870Z",
"structure_string": "Li8 Mn2 Si2 O11\n1.0\n-4.996441 -8.445370 0.035393\n-2.485940 4.215713 0.017291\n1.724307 0.002383 -4.684299\nLi Mn O Si\n8 2 11 2\ndirect\n0.745855 0.495928 0.002120 Li\n0.368803 0.394670 0.480338 Li\n0.662957 0.665162 0.490057 Li\n0.502979 0.019967 0.498659 Li\n0.810746 0.305969 0.514292 Li\n0.181004 0.720553 0.515323 Li\n0.986270 0.962867 0.523783 Li\n0.260343 0.499301 0.958631 Li\n0.910110 0.157815 0.011088 Mn\n0.417842 0.169294 0.988689 Mn\n0.471179 0.599701 0.200046 O\n0.611614 0.201016 0.215681 O\n0.783046 0.929681 0.230773 O\n0.977408 0.594877 0.231567 O\n0.262786 0.938049 0.248150 O\n0.388597 0.769206 0.756695 O\n0.548456 0.470065 0.761326 O\n0.694446 0.059139 0.772726 O\n0.039162 0.410241 0.784149 O\n0.189885 0.042576 0.803308 O\n0.909959 0.777829 0.819866 O\n0.583309 0.834398 0.983063 Si\n0.082341 0.776753 0.987261 Si\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Si"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.3596108121305175,
"density_atomic": 0.1170457779434613,
"volume": 196.50431142514256,
"volume_molar": 5.145115753691673,
"formula_full": "Li8 Mn2 Si2 O11",
"formula_reduced": "Li8Mn2Si2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.33267844822131,
"spacegroup": 1
},
{
"id": "oqmd-694297",
"created_at": "2022-09-04T15:18:01.330901Z",
"updated_at": "2022-09-04T15:18:01.330926Z",
"structure_string": "Li8 Mn2 Pd2 O11\n1.0\n-5.041114 -8.654790 -0.013302\n-2.524953 4.329952 -0.017586\n1.689516 0.005076 -4.737505\nLi Mn O Pd\n8 2 11 2\ndirect\n0.750358 0.492847 0.000418 Li\n0.498931 0.001131 0.499411 Li\n0.980519 0.973514 0.500156 Li\n0.831896 0.327127 0.501659 Li\n0.670345 0.664493 0.502475 Li\n0.349746 0.353995 0.510957 Li\n0.169579 0.699566 0.513051 Li\n0.253700 0.513177 0.970748 Li\n0.077675 0.816564 0.989667 Mn\n0.585966 0.838024 0.999491 Mn\n0.461731 0.589481 0.231327 O\n0.617350 0.221994 0.235899 O\n0.783507 0.918381 0.235900 O\n0.971486 0.594417 0.238753 O\n0.279871 0.932496 0.240090 O\n0.042976 0.410391 0.751520 O\n0.386334 0.764771 0.759096 O\n0.694715 0.058130 0.762835 O\n0.885797 0.751034 0.766484 O\n0.542250 0.438258 0.771258 O\n0.203880 0.083525 0.774944 O\n0.415712 0.170037 0.001364 Pd\n0.926949 0.163502 0.006707 Pd\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Pd"
],
"chemical_system": "Li-Mn-O-Pd",
"density": 4.439794363140155,
"density_atomic": 0.11095469778110097,
"volume": 207.29180881891074,
"volume_molar": 5.427567178706477,
"formula_full": "Li8 Mn2 Pd2 O11",
"formula_reduced": "Li8Mn2Pd2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.75969779474304,
"spacegroup": 1
},
{
"id": "oqmd-694140",
"created_at": "2022-09-04T15:18:01.335362Z",
"updated_at": "2022-09-04T15:18:01.335387Z",
"structure_string": "Li8 Bi4 O11\n1.0\n-5.649850 -9.833691 -0.026710\n-2.813051 4.910796 0.044256\n1.940628 -0.027832 -5.068057\nBi Li O\n4 8 11\ndirect\n0.084775 0.863777 0.006928 Bi\n0.423550 0.177749 0.007118 Bi\n0.590793 0.843365 0.020721 Bi\n0.933014 0.192663 0.038708 Bi\n0.894297 0.803431 0.435260 Li\n0.460047 0.937950 0.475735 Li\n0.372067 0.319555 0.515646 Li\n0.170501 0.751388 0.526669 Li\n0.661944 0.625128 0.531128 Li\n0.839377 0.321180 0.545514 Li\n0.229144 0.489937 0.850908 Li\n0.738234 0.453588 0.916599 Li\n0.304653 0.935813 0.236132 O\n0.617248 0.254200 0.257624 O\n0.976142 0.624177 0.264579 O\n0.798388 0.963181 0.277168 O\n0.475885 0.565642 0.294429 O\n0.359142 0.782289 0.727736 O\n0.861860 0.724103 0.747465 O\n0.246194 0.153240 0.755618 O\n0.048694 0.482115 0.756295 O\n0.547656 0.382821 0.766158 O\n0.740888 0.101692 0.788668 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Bi",
"Li",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 6.325688795132821,
"density_atomic": 0.08208085413951016,
"volume": 280.211509018993,
"volume_molar": 7.336839782106024,
"formula_full": "Li8 Bi4 O11",
"formula_reduced": "Li8Bi4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.70341587324636,
"spacegroup": 1
},
{
"id": "oqmd-694248",
"created_at": "2022-09-04T15:18:01.875487Z",
"updated_at": "2022-09-04T15:18:01.875521Z",
"structure_string": "Li8 Th4 O11\n1.0\n-6.730991 -10.723879 -0.306579\n-2.990646 5.145229 0.127535\n2.092558 -0.067676 -4.560332\nLi O Th\n8 11 4\ndirect\n0.803888 0.536160 0.035198 Li\n0.301763 0.555714 0.040992 Li\n0.728307 0.662358 0.421770 Li\n0.236774 0.685403 0.457325 Li\n0.765108 0.235488 0.486317 Li\n0.273852 0.172957 0.517180 Li\n0.090674 0.180199 0.583250 Li\n0.590370 0.193989 0.589338 Li\n0.739166 0.868450 0.183157 O\n0.242456 0.870119 0.199731 O\n0.618951 0.253002 0.244697 O\n0.980832 0.625384 0.272925 O\n0.484694 0.661563 0.279161 O\n0.469214 0.318166 0.662234 O\n0.969145 0.282036 0.673111 O\n0.857640 0.719073 0.764866 O\n0.361023 0.771781 0.797295 O\n0.719246 0.132562 0.797495 O\n0.217523 0.138174 0.817547 O\n0.906421 0.151518 0.073616 Th\n0.416057 0.197721 0.110181 Th\n0.056146 0.757728 0.861857 Th\n0.551424 0.791804 0.876462 Th\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"O",
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],
"chemical_system": "Li-O-Th",
"density": 6.323869177975343,
"density_atomic": 0.07553110356697738,
"volume": 304.51031315337127,
"volume_molar": 7.973060733396875,
"formula_full": "Li8 Th4 O11",
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"formula_anonymous": "A4B8C11",
"formation_energy": -2.77784007694071,
"spacegroup": 1
},
{
"id": "oqmd-694156",
"created_at": "2022-09-04T15:18:01.408218Z",
"updated_at": "2022-09-04T15:18:01.408234Z",
"structure_string": "Li8 Dy4 O11\n1.0\n-5.104972 -10.522845 -0.142920\n-2.532846 5.246336 -0.067101\n1.622706 0.003892 -4.846592\nDy Li O\n4 8 11\ndirect\n0.100103 0.915137 0.030260 Dy\n0.557287 0.757841 0.918798 Dy\n0.400339 0.058547 0.933016 Dy\n0.921951 0.179092 0.949782 Dy\n0.291158 0.563824 0.261411 Li\n0.934167 0.872079 0.390914 Li\n0.116322 0.600965 0.442410 Li\n0.805075 0.343497 0.448571 Li\n0.689497 0.614954 0.477159 Li\n0.556417 0.071613 0.521068 Li\n0.217222 0.394257 0.675274 Li\n0.750260 0.455545 0.958136 Li\n0.756533 0.824383 0.178808 O\n0.599441 0.159900 0.190767 O\n0.947935 0.557290 0.227891 O\n0.273070 0.878124 0.259960 O\n0.090113 0.228416 0.295184 O\n0.397570 0.750768 0.637093 O\n0.721447 0.077288 0.701057 O\n0.903077 0.792924 0.727775 O\n0.572875 0.410056 0.733829 O\n0.126486 0.583735 0.815044 O\n0.321718 0.335592 0.967817 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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],
"chemical_system": "Dy-Li-O",
"density": 5.601115766242573,
"density_atomic": 0.0880076506466623,
"volume": 261.34091560223095,
"volume_molar": 6.842746870017021,
"formula_full": "Li8 Dy4 O11",
"formula_reduced": "Li8Dy4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.58311587831883,
"spacegroup": 1
},
{
"id": "oqmd-694210",
"created_at": "2022-09-04T15:18:01.424417Z",
"updated_at": "2022-09-04T15:18:01.424441Z",
"structure_string": "Li8 Pm4 O11\n1.0\n-5.290259 -10.861892 0.038976\n-2.608502 5.411250 -0.215837\n1.626226 0.112685 -4.721594\nLi O Pm\n8 11 4\ndirect\n0.267268 0.545193 0.212427 Li\n0.933919 0.866789 0.388688 Li\n0.687214 0.578372 0.443281 Li\n0.803634 0.353011 0.448014 Li\n0.107478 0.567707 0.465863 Li\n0.551718 0.076640 0.507026 Li\n0.224869 0.399379 0.670887 Li\n0.746693 0.454988 0.944493 Li\n0.603758 0.179484 0.179046 O\n0.762293 0.825887 0.179684 O\n0.953914 0.550684 0.250151 O\n0.089632 0.219575 0.301002 O\n0.303691 0.953897 0.392452 O\n0.393086 0.742298 0.597291 O\n0.566884 0.411897 0.698521 O\n0.717180 0.100876 0.704252 O\n0.896760 0.769055 0.727755 O\n0.145557 0.588295 0.852731 O\n0.321903 0.340301 0.969998 O\n0.102657 0.903835 0.043221 Pm\n0.393646 0.061076 0.905898 Pm\n0.918510 0.165747 0.927531 Pm\n0.564786 0.772439 0.933160 Pm\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Pm"
],
"chemical_system": "Li-O-Pm",
"density": 4.94932162749278,
"density_atomic": 0.08447426831925825,
"volume": 272.27226062586107,
"volume_molar": 7.128964689271048,
"formula_full": "Li8 Pm4 O11",
"formula_reduced": "Li8Pm4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.48508821933332,
"spacegroup": 1
},
{
"id": "oqmd-694368",
"created_at": "2022-09-04T15:18:01.439423Z",
"updated_at": "2022-09-04T15:18:01.439450Z",
"structure_string": "Li8 Mn2 Cr2 O11\n1.0\n-4.988644 -8.673816 -0.002040\n-2.485638 4.331938 -0.013285\n1.676787 0.008577 -4.700067\nCr Li Mn O\n2 8 2 11\ndirect\n0.081817 0.834632 0.003399 Cr\n0.588683 0.845280 0.978841 Cr\n0.749527 0.504734 0.005195 Li\n0.831124 0.328738 0.494860 Li\n0.996895 0.006810 0.496466 Li\n0.172948 0.656197 0.499518 Li\n0.692653 0.665480 0.511760 Li\n0.499493 0.044848 0.518462 Li\n0.313930 0.309290 0.525920 Li\n0.232904 0.491447 0.973778 Li\n0.919256 0.171287 0.000887 Mn\n0.414035 0.149573 0.994017 Mn\n0.791648 0.931491 0.227750 O\n0.967765 0.578993 0.228200 O\n0.289030 0.933747 0.233098 O\n0.113996 0.233000 0.233142 O\n0.608864 0.227289 0.238281 O\n0.381796 0.744027 0.747516 O\n0.718286 0.074606 0.757762 O\n0.032792 0.419895 0.768794 O\n0.892864 0.783410 0.773800 O\n0.533335 0.418954 0.775154 O\n0.212546 0.074474 0.782897 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Li",
"Mn",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.6412841420887,
"density_atomic": 0.11323824988921834,
"volume": 203.11158131197752,
"volume_molar": 5.318115359334409,
"formula_full": "Li8 Mn2 Cr2 O11",
"formula_reduced": "Li8Mn2Cr2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.14241008511342,
"spacegroup": 1
},
{
"id": "oqmd-694261",
"created_at": "2022-09-04T15:18:01.446565Z",
"updated_at": "2022-09-04T15:18:01.446594Z",
"structure_string": "Li8 Y4 O11\n1.0\n-5.808268 -9.806200 -0.074637\n-2.812604 4.849089 0.032546\n1.930887 -0.016890 -4.746211\nLi O Y\n8 11 4\ndirect\n0.464080 0.969284 0.444745 Li\n0.216832 0.769106 0.465303 Li\n0.361150 0.381998 0.474462 Li\n0.691937 0.647406 0.524211 Li\n0.953121 0.937523 0.538462 Li\n0.774019 0.290903 0.542948 Li\n0.252470 0.472028 0.883633 Li\n0.738990 0.506953 0.997582 Li\n0.430384 0.582806 0.200277 O\n0.290716 0.969645 0.230367 O\n0.615300 0.245112 0.269291 O\n0.779465 0.900603 0.286638 O\n0.013322 0.644852 0.335951 O\n0.372471 0.754453 0.701756 O\n0.206774 0.068882 0.714572 O\n0.545156 0.430326 0.729293 O\n0.052749 0.345981 0.805205 O\n0.876944 0.746158 0.805445 O\n0.740113 0.140374 0.833111 O\n0.919632 0.167881 0.077157 Y\n0.077279 0.756605 0.917135 Y\n0.420908 0.182782 0.987544 Y\n0.582733 0.841433 0.993785 Y\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Y"
],
"chemical_system": "Li-O-Y",
"density": 3.6839261388424323,
"density_atomic": 0.08690493394475096,
"volume": 264.6570103214398,
"volume_molar": 6.929572909897755,
"formula_full": "Li8 Y4 O11",
"formula_reduced": "Li8Y4O11",
"formula_anonymous": "A4B8C11",
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"spacegroup": 1
},
{
"id": "oqmd-694279",
"created_at": "2022-09-04T15:18:01.469442Z",
"updated_at": "2022-09-04T15:18:01.469462Z",
"structure_string": "Li8 Mn2 Ni2 O11\n1.0\n-4.918804 -8.481900 -0.063504\n-2.455700 4.238683 -0.007051\n1.630994 -0.012909 -4.671753\nLi Mn Ni O\n8 2 2 11\ndirect\n0.668162 0.660462 0.496848 Li\n0.977295 0.968405 0.501140 Li\n0.832954 0.330103 0.502153 Li\n0.501483 0.010132 0.504997 Li\n0.351628 0.347400 0.514565 Li\n0.175495 0.699772 0.520289 Li\n0.257269 0.515092 0.975756 Li\n0.748852 0.496548 0.997745 Li\n0.084438 0.819722 0.993694 Mn\n0.583286 0.837793 0.998705 Mn\n0.417238 0.172247 0.003917 Ni\n0.908489 0.162880 0.982914 Ni\n0.789181 0.935007 0.222627 O\n0.458780 0.565615 0.226891 O\n0.607601 0.225261 0.227286 O\n0.290798 0.938452 0.232543 O\n0.972906 0.574964 0.237515 O\n0.697524 0.057919 0.755401 O\n0.037188 0.385290 0.757746 O\n0.386696 0.784145 0.769371 O\n0.889144 0.774758 0.783137 O\n0.535711 0.424412 0.783206 O\n0.218916 0.090865 0.783425 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 3.9019042029043,
"density_atomic": 0.11780041030852421,
"volume": 195.24549990753033,
"volume_molar": 5.112156013911803,
"formula_full": "Li8 Mn2 Ni2 O11",
"formula_reduced": "Li8Mn2Ni2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.78803372225937,
"spacegroup": 1
},
{
"id": "oqmd-694431",
"created_at": "2022-09-04T15:18:01.963798Z",
"updated_at": "2022-09-04T15:18:01.963839Z",
"structure_string": "Rh2 O5\n1.0\n-2.716933 -4.726868 -0.088557\n-2.707943 4.712048 0.332331\n2.029023 -0.195315 -3.977969\nO Rh\n5 2\ndirect\n0.631940 0.009876 0.261945 O\n0.238507 0.238838 0.270714 O\n0.377652 0.909366 0.672697 O\n0.832100 0.799477 0.678985 O\n0.912839 0.461536 0.902452 O\n0.827673 0.114142 0.979245 Rh\n0.212349 0.884393 0.994836 Rh\n",
"nsites": 7,
"nelements": 2,
"elements": [
"O",
"Rh"
],
"chemical_system": "O-Rh",
"density": 4.7802897504211295,
"density_atomic": 0.07050643940127212,
"volume": 99.28171184706999,
"volume_molar": 8.541263480525929,
"formula_full": "Rh2 O5",
"formula_reduced": "Rh2O5",
"formula_anonymous": "A2B5",
"formation_energy": -0.572103085627681,
"spacegroup": 1
},
{
"id": "oqmd-694318",
"created_at": "2022-09-04T15:18:01.616382Z",
"updated_at": "2022-09-04T15:18:01.616418Z",
"structure_string": "Li8 Mn2 Bi2 O11\n1.0\n-5.139094 -9.319353 -0.136617\n-2.596593 4.674845 -0.070824\n1.620584 -0.002977 -4.844356\nBi Li Mn O\n2 8 2 11\ndirect\n0.083383 0.838804 0.004736 Bi\n0.569975 0.812848 0.027226 Bi\n0.745605 0.494844 0.005357 Li\n0.180123 0.646429 0.481692 Li\n0.987458 0.007959 0.493265 Li\n0.839046 0.330879 0.510874 Li\n0.497189 0.050669 0.511411 Li\n0.323086 0.335712 0.516579 Li\n0.688472 0.654371 0.531135 Li\n0.229848 0.487337 0.951237 Li\n0.913613 0.165631 0.007517 Mn\n0.416925 0.146220 0.971861 Mn\n0.297889 0.930874 0.218940 O\n0.602952 0.272322 0.231329 O\n0.126740 0.243865 0.241800 O\n0.808734 0.946288 0.245990 O\n0.966610 0.573799 0.258360 O\n0.374208 0.745155 0.721132 O\n0.531211 0.401975 0.746836 O\n0.885850 0.766822 0.761034 O\n0.706588 0.056865 0.769246 O\n0.030449 0.408766 0.770449 O\n0.229597 0.103395 0.774571 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Bi",
"Li",
"Mn",
"O"
],
"chemical_system": "Bi-Li-Mn-O",
"density": 5.34946127671885,
"density_atomic": 0.0975757837085273,
"volume": 235.71422258522935,
"volume_molar": 6.171757511053141,
"formula_full": "Li8 Mn2 Bi2 O11",
"formula_reduced": "Li8Mn2Bi2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.88251907604739,
"spacegroup": 1
},
{
"id": "oqmd-694358",
"created_at": "2022-09-04T15:18:01.529582Z",
"updated_at": "2022-09-04T15:18:01.529621Z",
"structure_string": "Li8 Mn2 Al2 O11\n1.0\n-4.926033 -8.569374 -0.008869\n-2.462825 4.284479 0.016837\n1.683854 -0.011737 -4.690823\nAl Li Mn O\n2 8 2 11\ndirect\n0.586304 0.843446 0.005323 Al\n0.058317 0.816535 0.976294 Al\n0.752474 0.508808 0.004772 Li\n0.988753 0.991427 0.487931 Li\n0.675364 0.668699 0.492943 Li\n0.334084 0.388289 0.496330 Li\n0.830791 0.337205 0.499140 Li\n0.528431 0.015659 0.523588 Li\n0.154842 0.624123 0.527167 Li\n0.244175 0.458050 0.979881 Li\n0.916957 0.170779 0.004821 Mn\n0.427396 0.183488 0.978326 Mn\n0.463330 0.572024 0.221173 O\n0.786171 0.932853 0.226948 O\n0.604278 0.218649 0.230536 O\n0.115153 0.214187 0.232063 O\n0.978975 0.591662 0.235159 O\n0.528731 0.422958 0.755024 O\n0.880181 0.772132 0.759957 O\n0.389917 0.781783 0.770130 O\n0.713900 0.076551 0.781864 O\n0.041543 0.433645 0.790214 O\n0.212864 0.046834 0.795686 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Al",
"Li",
"Mn",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.3187140476428083,
"density_atomic": 0.1162666665437804,
"volume": 197.82110112651517,
"volume_molar": 5.179593549052473,
"formula_full": "Li8 Mn2 Al2 O11",
"formula_reduced": "Li8Mn2Al2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.32562255039522,
"spacegroup": 1
}
]
}