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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=30",
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"results": [
{
"id": "oqmd-694182",
"created_at": "2022-09-04T15:17:59.443524Z",
"updated_at": "2022-09-04T15:17:59.443541Z",
"structure_string": "Li8 La4 O11\n1.0\n-5.337298 -10.957054 -0.181661\n-2.725820 5.521829 -0.208910\n1.576662 0.043411 -4.741017\nLa Li O\n4 8 11\ndirect\n0.111416 0.900773 0.003347 La\n0.581564 0.830089 0.031778 La\n0.459222 0.214355 0.033779 La\n0.938211 0.187694 0.068823 La\n0.787605 0.499796 0.058812 Li\n0.944064 0.863696 0.483073 Li\n0.346874 0.414356 0.499982 Li\n0.481726 0.048031 0.504654 Li\n0.195726 0.742977 0.517277 Li\n0.700144 0.617619 0.558179 Li\n0.812464 0.373512 0.564121 Li\n0.262652 0.553731 0.923411 Li\n0.331057 0.379662 0.102458 O\n0.269889 0.814618 0.194581 O\n0.766654 0.821392 0.253781 O\n0.633263 0.226594 0.299187 O\n0.959858 0.580908 0.307612 O\n0.147757 0.041284 0.525029 O\n0.510612 0.412143 0.648397 O\n0.404689 0.815093 0.745024 O\n0.086060 0.498621 0.771670 O\n0.885773 0.765621 0.808563 O\n0.758876 0.149746 0.838720 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"La",
"Li",
"O"
],
"chemical_system": "La-Li-O",
"density": 4.562416398702508,
"density_atomic": 0.08028231107669699,
"volume": 286.48901223118946,
"volume_molar": 7.501205034128629,
"formula_full": "Li8 La4 O11",
"formula_reduced": "Li8La4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.42653384498549,
"spacegroup": 1
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{
"id": "oqmd-694239",
"created_at": "2022-09-04T15:17:59.551046Z",
"updated_at": "2022-09-04T15:17:59.551070Z",
"structure_string": "Li8 Tb4 O11\n1.0\n-6.004713 -9.784390 -0.004265\n-2.821864 4.787049 0.085874\n2.038848 -0.009126 -4.797414\nLi O Tb\n8 11 4\ndirect\n0.220337 0.779564 0.444928 Li\n0.464242 0.971855 0.445838 Li\n0.354958 0.372991 0.469181 Li\n0.692656 0.650159 0.526362 Li\n0.939590 0.938021 0.543158 Li\n0.768060 0.264894 0.548504 Li\n0.254401 0.481593 0.888004 Li\n0.741255 0.512472 0.989185 Li\n0.285136 0.964117 0.205160 O\n0.435657 0.593120 0.205268 O\n0.613324 0.238691 0.281225 O\n0.778288 0.900217 0.286468 O\n0.018869 0.643272 0.382343 O\n0.370501 0.753897 0.693695 O\n0.218154 0.089861 0.699893 O\n0.543388 0.418767 0.725552 O\n0.878168 0.744819 0.813025 O\n0.051718 0.337942 0.822141 O\n0.741004 0.139068 0.845256 O\n0.922898 0.176893 0.092924 Tb\n0.077546 0.754574 0.866962 Tb\n0.583901 0.840254 0.989522 Tb\n0.422724 0.186504 0.992515 Tb\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Tb"
],
"chemical_system": "Li-O-Tb",
"density": 5.359702276823753,
"density_atomic": 0.08560294721716548,
"volume": 268.6823380233799,
"volume_molar": 7.034968953489972,
"formula_full": "Li8 Tb4 O11",
"formula_reduced": "Li8Tb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.41389292840578,
"spacegroup": 1
},
{
"id": "oqmd-694241",
"created_at": "2022-09-04T15:17:59.477762Z",
"updated_at": "2022-09-04T15:17:59.477790Z",
"structure_string": "Li8 Tb4 O11\n1.0\n-5.271268 -10.431002 -0.202421\n-2.660414 5.233994 -0.125402\n1.609135 0.003563 -4.745065\nLi O Tb\n8 11 4\ndirect\n0.756099 0.500968 0.002533 Li\n0.239726 0.521098 0.049676 Li\n0.950204 0.925448 0.442196 Li\n0.328475 0.415427 0.455510 Li\n0.813461 0.368177 0.490204 Li\n0.195316 0.609394 0.520424 Li\n0.700475 0.633586 0.522232 Li\n0.551074 0.090109 0.562878 Li\n0.353558 0.390240 0.076729 O\n0.618952 0.215601 0.244969 O\n0.942346 0.584324 0.245163 O\n0.775159 0.894149 0.263108 O\n0.268593 0.864401 0.263805 O\n0.109605 0.238751 0.297628 O\n0.398180 0.770115 0.706626 O\n0.558802 0.428734 0.742968 O\n0.721420 0.109057 0.755310 O\n0.894071 0.799251 0.765558 O\n0.100521 0.541408 0.819093 O\n0.923799 0.197106 0.014690 Tb\n0.091904 0.892853 0.027258 Tb\n0.569710 0.787859 0.994417 Tb\n0.425292 0.119432 0.996157 Tb\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Tb"
],
"chemical_system": "Li-O-Tb",
"density": 5.405542533570392,
"density_atomic": 0.08633508883176079,
"volume": 266.40384936441745,
"volume_molar": 6.97531078207982,
"formula_full": "Li8 Tb4 O11",
"formula_reduced": "Li8Tb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.423086247971,
"spacegroup": 1
},
{
"id": "oqmd-694339",
"created_at": "2022-09-04T15:17:59.491217Z",
"updated_at": "2022-09-04T15:17:59.491233Z",
"structure_string": "Li8 Mn2 W2 O11\n1.0\n-5.081708 -8.881238 -0.035545\n-2.603761 4.476748 0.001162\n1.730890 -0.022081 -4.809767\nLi Mn O W\n8 2 11 2\ndirect\n0.002745 0.012227 0.496240 Li\n0.672763 0.650979 0.498436 Li\n0.331706 0.364855 0.499846 Li\n0.831269 0.329224 0.508926 Li\n0.165579 0.631353 0.511771 Li\n0.516393 0.018446 0.522927 Li\n0.242455 0.479924 0.978003 Li\n0.744546 0.494251 0.997796 Li\n0.404249 0.155312 0.005310 Mn\n0.925025 0.160470 0.994837 Mn\n0.773879 0.907846 0.237017 O\n0.463665 0.610528 0.237231 O\n0.614175 0.217601 0.240338 O\n0.990707 0.627213 0.240746 O\n0.131981 0.242818 0.246120 O\n0.881019 0.740539 0.732408 O\n0.043437 0.438691 0.752387 O\n0.201917 0.067539 0.760769 O\n0.387958 0.757394 0.761478 O\n0.539602 0.445366 0.762860 O\n0.699707 0.074236 0.780754 O\n0.581939 0.830061 0.003428 W\n0.077709 0.834902 0.988323 W\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Mn",
"O",
"W"
],
"chemical_system": "Li-Mn-O-W",
"density": 5.330259505681119,
"density_atomic": 0.10411981629222933,
"volume": 220.89935248681894,
"volume_molar": 5.783856497689043,
"formula_full": "Li8 Mn2 W2 O11",
"formula_reduced": "Li8Mn2W2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.16155401169957,
"spacegroup": 1
},
{
"id": "oqmd-58160",
"created_at": "2022-09-04T15:17:59.516084Z",
"updated_at": "2022-09-04T15:17:59.516111Z",
"structure_string": "Al4 Si4 H8 O18\n1.0\n5.123171 -0.000480 -0.006388\n0.031684 8.890381 -0.006442\n-1.915412 -0.245078 7.014670\nAl H O Si\n4 8 18 4\ndirect\n0.853878 0.330005 0.457255 Al\n0.358894 0.830465 0.459713 Al\n0.362264 0.494354 0.460680 Al\n0.866309 0.994516 0.461895 Al\n0.704301 0.563747 0.303634 H\n0.208774 0.065266 0.307188 H\n0.609681 0.315722 0.717935 H\n0.112499 0.814894 0.719500 H\n0.109265 0.501075 0.721073 H\n0.616881 0.000000 0.723798 H\n0.119295 0.174298 0.724592 H\n0.619231 0.669009 0.726028 H\n0.112128 0.349390 0.294393 O\n0.678626 0.160363 0.295758 O\n0.614147 0.849191 0.296268 O\n0.178872 0.661436 0.297021 O\n0.608859 0.468591 0.300883 O\n0.113337 0.969956 0.303603 O\n0.096422 0.476342 0.587622 O\n0.029005 0.167845 0.589092 O\n0.603190 0.975717 0.590093 O\n0.530309 0.665952 0.590288 O\n0.598378 0.355129 0.593384 O\n0.104683 0.856711 0.596447 O\n0.749967 0.268397 0.968624 O\n0.073410 0.495977 0.969000 O\n0.575930 0.994599 0.969715 O\n0.244055 0.771468 0.970859 O\n0.255857 0.218160 0.991401 O\n0.750243 0.715606 0.993786 O\n0.055534 0.334478 0.066146 Si\n0.552422 0.834241 0.067691 Si\n0.568984 0.162713 0.067734 Si\n0.065370 0.663428 0.068904 Si\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Al",
"H",
"O",
"Si"
],
"chemical_system": "Al-H-O-Si",
"density": 2.684485085080382,
"density_atomic": 0.10645624206939615,
"volume": 319.38005079905275,
"volume_molar": 5.656916534846606,
"formula_full": "Al4 Si4 H8 O18",
"formula_reduced": "Al2Si2H4O9",
"formula_anonymous": "A2B2C4D9",
"formation_energy": -2.46396637333209,
"spacegroup": 1
},
{
"id": "oqmd-694244",
"created_at": "2022-09-04T15:17:59.519071Z",
"updated_at": "2022-09-04T15:17:59.519100Z",
"structure_string": "Li8 Tc4 O11\n1.0\n-5.184589 -8.681504 -0.017528\n-2.578098 4.332456 -0.020360\n1.728157 0.009214 -4.819687\nLi O Tc\n8 11 4\ndirect\n0.668733 0.658164 0.496360 Li\n0.986753 0.977279 0.498845 Li\n0.505068 0.003455 0.503563 Li\n0.831618 0.320632 0.507968 Li\n0.344348 0.362988 0.509040 Li\n0.168702 0.687191 0.520184 Li\n0.253231 0.519262 0.978959 Li\n0.748209 0.479071 0.993460 Li\n0.971068 0.564899 0.231261 O\n0.795747 0.923415 0.234410 O\n0.459020 0.587417 0.235966 O\n0.614339 0.233431 0.236090 O\n0.278941 0.948541 0.239596 O\n0.869443 0.731353 0.737915 O\n0.381686 0.769919 0.756409 O\n0.711395 0.066826 0.760321 O\n0.535937 0.414008 0.761931 O\n0.039270 0.402034 0.765460 O\n0.201692 0.080105 0.767706 O\n0.411683 0.171419 0.002314 Tc\n0.942991 0.150580 0.008558 Tc\n0.071964 0.873200 0.016960 Tc\n0.590734 0.839960 0.995669 Tc\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Tc"
],
"chemical_system": "Li-O-Tc",
"density": 4.780837710647368,
"density_atomic": 0.10620167744783654,
"volume": 216.56908396100422,
"volume_molar": 5.670476121206199,
"formula_full": "Li8 Tc4 O11",
"formula_reduced": "Li8Tc4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.84225585063767,
"spacegroup": 1
},
{
"id": "oqmd-694291",
"created_at": "2022-09-04T15:17:59.587986Z",
"updated_at": "2022-09-04T15:17:59.588007Z",
"structure_string": "Li8 Mn2 Pb2 O11\n1.0\n-5.123128 -8.926431 0.170455\n-2.728514 4.559611 -0.069587\n1.808973 0.050960 -4.864171\nLi Mn O Pb\n8 2 11 2\ndirect\n0.963281 0.909760 0.492331 Li\n0.360602 0.391604 0.492946 Li\n0.165536 0.746118 0.496417 Li\n0.516303 0.974361 0.504249 Li\n0.815180 0.295813 0.533104 Li\n0.679046 0.679824 0.533373 Li\n0.252019 0.501335 0.920256 Li\n0.751221 0.485500 0.994730 Li\n0.590696 0.837143 0.011674 Mn\n0.067122 0.800486 0.961596 Mn\n0.971860 0.632454 0.214478 O\n0.458838 0.602484 0.221250 O\n0.267502 0.952767 0.238774 O\n0.620804 0.197835 0.245300 O\n0.769743 0.897589 0.264320 O\n0.872857 0.709114 0.738395 O\n0.395122 0.768757 0.747244 O\n0.050587 0.463534 0.747272 O\n0.182520 0.072001 0.762852 O\n0.546216 0.460590 0.771912 O\n0.713256 0.059010 0.801896 O\n0.951823 0.179569 0.067435 Pb\n0.415815 0.170339 0.998432 Pb\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Pb"
],
"chemical_system": "Li-Mn-O-Pb",
"density": 5.414949952902188,
"density_atomic": 0.09923565494085394,
"volume": 231.77153427070513,
"volume_molar": 6.068525232779783,
"formula_full": "Li8 Mn2 Pb2 O11",
"formula_reduced": "Li8Mn2Pb2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.83409957430826,
"spacegroup": 1
},
{
"id": "oqmd-694351",
"created_at": "2022-09-04T15:17:59.592997Z",
"updated_at": "2022-09-04T15:17:59.593023Z",
"structure_string": "Li8 Mn2 Co2 O11\n1.0\n-4.987683 -8.523071 -0.006075\n-2.526615 4.280587 0.007621\n1.708322 -0.012235 -4.719470\nCo Li Mn O\n2 8 2 11\ndirect\n0.582652 0.836799 0.007606 Co\n0.081059 0.797770 0.976565 Co\n0.749746 0.501873 0.006759 Li\n0.662374 0.650923 0.493292 Li\n0.829216 0.324919 0.493920 Li\n0.494687 0.995179 0.495634 Li\n0.180932 0.718172 0.507268 Li\n0.990121 0.969995 0.513505 Li\n0.352611 0.363452 0.517651 Li\n0.260636 0.515865 0.967636 Li\n0.900461 0.155409 0.988603 Mn\n0.414045 0.174279 0.997693 Mn\n0.283062 0.943443 0.226352 O\n0.608338 0.223822 0.232867 O\n0.453543 0.564982 0.236408 O\n0.804656 0.937666 0.237808 O\n0.968180 0.555415 0.239900 O\n0.378812 0.783329 0.755065 O\n0.713874 0.073730 0.759042 O\n0.213820 0.091113 0.765524 O\n0.034188 0.386794 0.774032 O\n0.537995 0.427268 0.783219 O\n0.893930 0.779365 0.790351 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Li",
"Mn",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.7692911172957038,
"density_atomic": 0.11367792273957739,
"volume": 202.32600531142944,
"volume_molar": 5.297546449538852,
"formula_full": "Li8 Mn2 Co2 O11",
"formula_reduced": "Li8Mn2Co2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.85350157578093,
"spacegroup": 1
},
{
"id": "oqmd-694277",
"created_at": "2022-09-04T15:17:59.503676Z",
"updated_at": "2022-09-04T15:17:59.503715Z",
"structure_string": "Li8 Mn2 Ni2 O11\n1.0\n-4.889657 -8.504429 -0.011144\n-2.462240 4.262212 0.017734\n1.677251 -0.016328 -4.676101\nLi Mn Ni O\n8 2 2 11\ndirect\n0.989802 0.993155 0.495017 Li\n0.831833 0.343230 0.497315 Li\n0.665743 0.656402 0.500727 Li\n0.334959 0.374335 0.507747 Li\n0.154633 0.624998 0.523355 Li\n0.524706 0.028692 0.527797 Li\n0.247121 0.460676 0.979687 Li\n0.749779 0.508188 0.998173 Li\n0.583123 0.830493 0.995746 Mn\n0.076069 0.826245 0.996877 Mn\n0.916639 0.167016 0.001725 Ni\n0.423267 0.172785 0.986501 Ni\n0.462300 0.572003 0.221170 O\n0.789736 0.935768 0.222372 O\n0.605014 0.216333 0.230644 O\n0.113494 0.227496 0.234518 O\n0.970557 0.574451 0.238800 O\n0.535350 0.433514 0.747046 O\n0.875580 0.781743 0.757611 O\n0.385899 0.776806 0.767115 O\n0.215546 0.055290 0.774639 O\n0.718993 0.086447 0.783396 O\n0.039457 0.419746 0.788508 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 3.9029013573727087,
"density_atomic": 0.1178305148932119,
"volume": 195.19561652467164,
"volume_molar": 5.110849906289368,
"formula_full": "Li8 Mn2 Ni2 O11",
"formula_reduced": "Li8Mn2Ni2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.79733715269415,
"spacegroup": 1
},
{
"id": "oqmd-694347",
"created_at": "2022-09-04T15:17:59.522301Z",
"updated_at": "2022-09-04T15:17:59.522333Z",
"structure_string": "Li8 Mn2 Os2 O11\n1.0\n-5.149741 -8.833400 -0.104665\n-2.509870 4.379584 0.002671\n1.678210 -0.017029 -4.735140\nLi Mn O Os\n8 2 11 2\ndirect\n0.987918 0.971822 0.488184 Li\n0.668955 0.651117 0.499739 Li\n0.502275 0.003397 0.503357 Li\n0.339284 0.334399 0.504258 Li\n0.833703 0.335559 0.505203 Li\n0.170682 0.698051 0.507998 Li\n0.254722 0.519111 0.980714 Li\n0.749197 0.490389 0.999625 Li\n0.415262 0.169036 0.005047 Mn\n0.920818 0.159821 0.998340 Mn\n0.284342 0.927713 0.227253 O\n0.788770 0.919079 0.228660 O\n0.967272 0.565741 0.235964 O\n0.460618 0.579339 0.236907 O\n0.628120 0.233034 0.251739 O\n0.195322 0.086573 0.756530 O\n0.703392 0.065316 0.758215 O\n0.877145 0.762869 0.761731 O\n0.535291 0.419654 0.767070 O\n0.388908 0.777122 0.769333 O\n0.041527 0.414055 0.779637 O\n0.587563 0.840496 0.003511 Os\n0.078346 0.848977 0.993746 Os\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Os"
],
"chemical_system": "Li-Mn-O-Os",
"density": 5.640777347838263,
"density_atomic": 0.10823462807229928,
"volume": 212.5013076650137,
"volume_molar": 5.563968636707736,
"formula_full": "Li8 Mn2 Os2 O11",
"formula_reduced": "Li8Mn2Os2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.80879005169957,
"spacegroup": 1
},
{
"id": "oqmd-694343",
"created_at": "2022-09-04T15:17:59.536317Z",
"updated_at": "2022-09-04T15:17:59.536347Z",
"structure_string": "Li8 Mn2 Sb2 O11\n1.0\n-5.128294 -8.760015 0.100185\n-2.661041 4.431402 -0.018136\n1.801969 0.020002 -4.841449\nLi Mn O Sb\n8 2 11 2\ndirect\n0.758457 0.511131 0.004485 Li\n0.330985 0.380528 0.494759 Li\n0.672342 0.657750 0.503874 Li\n0.844460 0.348718 0.507220 Li\n0.995438 0.003636 0.510583 Li\n0.149705 0.626610 0.515551 Li\n0.524094 0.047726 0.532944 Li\n0.234912 0.449166 0.958661 Li\n0.919786 0.166585 0.007766 Mn\n0.409383 0.162481 0.971828 Mn\n0.448876 0.558796 0.205690 O\n0.594393 0.203623 0.230608 O\n0.955598 0.560739 0.234080 O\n0.115277 0.249627 0.240738 O\n0.776508 0.906840 0.257290 O\n0.214780 0.070852 0.734101 O\n0.541924 0.441228 0.745895 O\n0.385787 0.780609 0.753870 O\n0.040171 0.425927 0.756767 O\n0.709539 0.069077 0.781653 O\n0.901683 0.783649 0.790977 O\n0.582309 0.826884 0.002902 Sb\n0.103340 0.834347 0.033651 Sb\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Sb"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.3680159978045845,
"density_atomic": 0.1034351982474371,
"volume": 222.36144358692607,
"volume_molar": 5.822138751640296,
"formula_full": "Li8 Mn2 Sb2 O11",
"formula_reduced": "Li8Mn2Sb2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.02822165126478,
"spacegroup": 1
},
{
"id": "oqmd-694257",
"created_at": "2022-09-04T15:17:59.542660Z",
"updated_at": "2022-09-04T15:17:59.542686Z",
"structure_string": "Li8 V4 O11\n1.0\n-4.999999 -8.844941 -0.032197\n-2.464724 4.402595 -0.023308\n1.649196 0.010488 -4.736394\nLi O V\n8 11 4\ndirect\n0.996062 0.999803 0.494322 Li\n0.170946 0.656005 0.497042 Li\n0.829961 0.336834 0.497526 Li\n0.691413 0.665645 0.508863 Li\n0.511071 0.050754 0.527328 Li\n0.312645 0.312307 0.529123 Li\n0.230173 0.486451 0.976571 Li\n0.749290 0.494922 0.996491 Li\n0.793533 0.931317 0.227663 O\n0.966323 0.588120 0.228699 O\n0.115080 0.234156 0.234995 O\n0.613384 0.222577 0.237510 O\n0.292510 0.945597 0.245105 O\n0.713778 0.073568 0.741848 O\n0.384129 0.751322 0.753092 O\n0.889281 0.778104 0.766487 O\n0.534157 0.417330 0.769726 O\n0.033221 0.420352 0.772878 O\n0.209655 0.072541 0.785049 O\n0.415035 0.139595 0.000824 V\n0.080891 0.840247 0.007379 V\n0.586964 0.834041 0.979020 V\n0.911744 0.161002 0.993550 V\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"V"
],
"chemical_system": "Li-O-V",
"density": 3.473545540014336,
"density_atomic": 0.1105288469791923,
"volume": 208.0904725653194,
"volume_molar": 5.448478767840312,
"formula_full": "Li8 V4 O11",
"formula_reduced": "Li8V4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.35607138851325,
"spacegroup": 1
}
]
}