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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=47",
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"results": [
{
"id": "oqmd-694204",
"created_at": "2022-09-04T15:18:01.769800Z",
"updated_at": "2022-09-04T15:18:01.769818Z",
"structure_string": "Li8 Pa4 O11\n1.0\n-6.880491 -10.167359 -0.397520\n-2.860243 4.740047 0.366638\n2.253321 -0.164694 -4.784748\nLi O Pa\n8 11 4\ndirect\n0.777781 0.518535 0.034637 Li\n0.427726 0.932429 0.466443 Li\n0.216328 0.746930 0.479435 Li\n0.741870 0.729395 0.482382 Li\n0.750651 0.263413 0.520690 Li\n0.072985 0.064942 0.529948 Li\n0.300099 0.309970 0.547956 Li\n0.251482 0.501848 0.995435 Li\n0.266229 0.881567 0.196573 O\n0.762339 0.903835 0.219749 O\n0.630912 0.294975 0.220260 O\n0.476945 0.687509 0.234627 O\n0.999768 0.652344 0.288248 O\n0.475448 0.335899 0.682409 O\n0.377833 0.778138 0.731942 O\n0.864661 0.692216 0.775080 O\n0.740534 0.086080 0.781680 O\n0.024932 0.299110 0.785821 O\n0.225124 0.103619 0.785857 O\n0.422942 0.217542 0.078702 Pa\n0.921774 0.166450 0.084442 Pa\n0.072386 0.765308 0.904362 Pa\n0.578623 0.826692 0.918659 Pa\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Pa"
],
"chemical_system": "Li-O-Pa",
"density": 6.607349503572349,
"density_atomic": 0.07919068286851945,
"volume": 290.43820771424555,
"volume_molar": 7.604607691031759,
"formula_full": "Li8 Pa4 O11",
"formula_reduced": "Li8Pa4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.35807775324636,
"spacegroup": 1
},
{
"id": "oqmd-694469",
"created_at": "2022-09-04T15:18:01.777288Z",
"updated_at": "2022-09-04T15:18:01.777313Z",
"structure_string": "Ge4 O11\n1.0\n-5.281661 -9.096029 0.153098\n-2.314699 4.405986 0.691467\n2.307869 -0.194880 -4.114704\nGe O\n4 11\ndirect\n0.412031 0.212260 0.037865 Ge\n0.585229 0.944001 0.041457 Ge\n0.854204 0.939914 0.795327 Ge\n0.078908 0.714874 0.960688 Ge\n0.067201 0.442923 0.122428 O\n0.793932 0.030152 0.179053 O\n0.659191 0.442129 0.339307 O\n0.526875 0.775649 0.342914 O\n0.345767 0.183364 0.381584 O\n0.917994 0.165427 0.520303 O\n0.668669 0.006128 0.713181 O\n0.481045 0.385596 0.750949 O\n0.183016 0.980279 0.801640 O\n0.373920 0.775758 0.802699 O\n0.918220 0.733951 0.948807 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 4.6763093778899,
"density_atomic": 0.09054073977606737,
"volume": 165.67127722944616,
"volume_molar": 6.651305009098052,
"formula_full": "Ge4 O11",
"formula_reduced": "Ge4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.21088373831109,
"spacegroup": 1
},
{
"id": "oqmd-694415",
"created_at": "2022-09-04T15:18:01.800622Z",
"updated_at": "2022-09-04T15:18:01.800649Z",
"structure_string": "Os2 O5\n1.0\n-2.562194 -4.471038 -0.026939\n-2.059303 4.170509 -0.025269\n1.512508 0.107143 -4.557762\nO Os\n5 2\ndirect\n0.569561 0.968411 0.235216 O\n0.202564 0.208564 0.297939 O\n0.771804 0.754604 0.706746 O\n0.072540 0.428967 0.764488 O\n0.448180 0.077306 0.784498 O\n0.148251 0.855718 0.003015 Os\n0.843926 0.128065 0.995021 Os\n",
"nsites": 7,
"nelements": 2,
"elements": [
"O",
"Os"
],
"chemical_system": "O-Os",
"density": 8.401644420400974,
"density_atomic": 0.07691732286147393,
"volume": 91.00680756410121,
"volume_molar": 7.829368646703576,
"formula_full": "Os2 O5",
"formula_reduced": "Os2O5",
"formula_anonymous": "A2B5",
"formation_energy": -0.84734867419911,
"spacegroup": 1
},
{
"id": "oqmd-694341",
"created_at": "2022-09-04T15:18:01.808309Z",
"updated_at": "2022-09-04T15:18:01.808332Z",
"structure_string": "Li8 Mn2 V2 O11\n1.0\n-5.032664 -8.668929 -0.043524\n-2.502041 4.326248 -0.005891\n1.677274 -0.005927 -4.714551\nLi Mn O V\n8 2 11 2\ndirect\n0.747091 0.499923 0.002638 Li\n0.668935 0.653894 0.496296 Li\n0.496689 0.004832 0.497813 Li\n0.832120 0.329063 0.499238 Li\n0.980987 0.970624 0.509426 Li\n0.181592 0.717963 0.510606 Li\n0.353306 0.350935 0.512803 Li\n0.257844 0.516962 0.968345 Li\n0.909926 0.156525 0.998423 Mn\n0.416051 0.172688 0.999390 Mn\n0.462717 0.578769 0.223137 O\n0.607881 0.225409 0.230515 O\n0.292558 0.939674 0.232466 O\n0.792484 0.929014 0.236980 O\n0.972343 0.571656 0.244656 O\n0.383254 0.781399 0.761807 O\n0.694972 0.054113 0.762137 O\n0.216459 0.092340 0.773716 O\n0.536436 0.419922 0.774425 O\n0.038494 0.391924 0.777010 O\n0.885104 0.766235 0.777235 O\n0.078686 0.809410 0.985349 V\n0.583836 0.842914 0.995073 V\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"V"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.585278442298593,
"density_atomic": 0.1120270786940956,
"volume": 205.3075048292964,
"volume_molar": 5.375611709419141,
"formula_full": "Li8 Mn2 V2 O11",
"formula_reduced": "Li8Mn2V2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.20853978911562,
"spacegroup": 1
},
{
"id": "oqmd-694317",
"created_at": "2022-09-04T15:18:01.800359Z",
"updated_at": "2022-09-04T15:18:01.800389Z",
"structure_string": "Li8 Mn2 Bi2 O11\n1.0\n-5.392706 -9.225960 -0.135520\n-2.546018 4.526209 0.028990\n1.740138 -0.023312 -4.879936\nBi Li Mn O\n2 8 2 11\ndirect\n0.585949 0.839726 0.006653 Bi\n0.090215 0.880970 0.037546 Bi\n0.497119 0.004623 0.498028 Li\n0.675937 0.653194 0.499060 Li\n0.836216 0.355929 0.505872 Li\n0.352343 0.323567 0.514683 Li\n0.168483 0.695306 0.520557 Li\n0.982273 0.990258 0.525449 Li\n0.250274 0.509508 0.946102 Li\n0.745550 0.494211 0.982653 Li\n0.906282 0.160351 0.986557 Mn\n0.413079 0.157555 0.994760 Mn\n0.307172 0.924995 0.227341 O\n0.798872 0.920691 0.227355 O\n0.453771 0.548049 0.230823 O\n0.964617 0.529525 0.252035 O\n0.627772 0.245338 0.256931 O\n0.200655 0.083137 0.723425 O\n0.701371 0.066861 0.744479 O\n0.382512 0.775238 0.754597 O\n0.870489 0.770578 0.756903 O\n0.532120 0.401326 0.771299 O\n0.037426 0.427312 0.790852 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Bi",
"Li",
"Mn",
"O"
],
"chemical_system": "Bi-Li-Mn-O",
"density": 5.381076711482352,
"density_atomic": 0.09815245875387442,
"volume": 234.3293310427856,
"volume_molar": 6.135496590157794,
"formula_full": "Li8 Mn2 Bi2 O11",
"formula_reduced": "Li8Mn2Bi2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.86633661604739,
"spacegroup": 1
},
{
"id": "oqmd-694333",
"created_at": "2022-09-04T15:18:01.848018Z",
"updated_at": "2022-09-04T15:18:01.848049Z",
"structure_string": "Li8 U2 Mn2 O11\n1.0\n-5.308985 -9.305591 -0.040007\n-2.703705 4.681156 -0.042542\n1.759976 0.002529 -4.897541\nLi Mn O U\n8 2 11 2\ndirect\n0.754371 0.507535 0.007193 Li\n0.838113 0.354272 0.494129 Li\n0.989003 0.008354 0.498147 Li\n0.679463 0.639829 0.501643 Li\n0.327663 0.372785 0.504160 Li\n0.158294 0.607861 0.513249 Li\n0.521195 0.051101 0.526908 Li\n0.242025 0.457201 0.967457 Li\n0.920025 0.173353 0.005512 Mn\n0.416175 0.165846 0.981212 Mn\n0.456710 0.582802 0.231260 O\n0.614522 0.231896 0.246632 O\n0.131094 0.253662 0.249197 O\n0.782771 0.912420 0.249813 O\n0.959950 0.582402 0.252337 O\n0.212764 0.074668 0.747498 O\n0.542690 0.433538 0.748667 O\n0.381281 0.760133 0.749284 O\n0.874425 0.746739 0.753845 O\n0.047393 0.421132 0.759628 O\n0.702120 0.082323 0.767483 O\n0.582828 0.834044 0.002410 U\n0.078872 0.831086 0.994750 U\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"U"
],
"chemical_system": "Li-Mn-O-U",
"density": 5.518835050008555,
"density_atomic": 0.09351087765504221,
"volume": 245.96069010116722,
"volume_molar": 6.440043031373772,
"formula_full": "Li8 U2 Mn2 O11",
"formula_reduced": "Li8U2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.43295746539731,
"spacegroup": 1
},
{
"id": "oqmd-694359",
"created_at": "2022-09-04T15:18:01.864860Z",
"updated_at": "2022-09-04T15:18:01.864887Z",
"structure_string": "Li8 Mn2 Al2 O11\n1.0\n-5.025413 -8.544183 0.014850\n-2.465873 4.245256 0.037195\n1.732509 -0.007235 -4.691976\nAl Li Mn O\n2 8 2 11\ndirect\n0.079574 0.829594 0.002681 Al\n0.602387 0.865631 0.969438 Al\n0.707481 0.691105 0.486638 Li\n0.994170 0.000000 0.492606 Li\n0.158601 0.640473 0.495876 Li\n0.835830 0.338991 0.499235 Li\n0.507005 0.066335 0.523657 Li\n0.304276 0.294645 0.532085 Li\n0.230889 0.482681 0.993197 Li\n0.755769 0.512193 0.994664 Li\n0.406020 0.121687 0.990888 Mn\n0.920446 0.172272 0.996585 Mn\n0.784963 0.931279 0.215929 O\n0.966107 0.580532 0.224967 O\n0.603836 0.201115 0.226987 O\n0.113654 0.225064 0.234415 O\n0.293605 0.938343 0.237789 O\n0.711384 0.065422 0.744581 O\n0.891519 0.777496 0.766344 O\n0.392322 0.764673 0.768490 O\n0.036896 0.425361 0.775696 O\n0.213485 0.070004 0.793008 O\n0.523318 0.428362 0.807859 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Al",
"Li",
"Mn",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.3108141379732765,
"density_atomic": 0.11598990387303272,
"volume": 198.29312062519458,
"volume_molar": 5.191952539759048,
"formula_full": "Li8 Mn2 Al2 O11",
"formula_reduced": "Li8Mn2Al2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.32352753561261,
"spacegroup": 1
},
{
"id": "oqmd-694370",
"created_at": "2022-09-04T15:18:01.832706Z",
"updated_at": "2022-09-04T15:18:01.832735Z",
"structure_string": "Li8 Zr2 Mn2 O11\n1.0\n-5.126196 -9.021414 0.038414\n-2.635237 4.552229 -0.045009\n1.740392 0.020548 -4.824972\nLi Mn O Zr\n8 2 11 2\ndirect\n0.746687 0.498097 0.007352 Li\n0.987125 0.991771 0.488863 Li\n0.338207 0.402820 0.494797 Li\n0.833348 0.333359 0.497246 Li\n0.666083 0.641402 0.498272 Li\n0.152909 0.617485 0.531606 Li\n0.536007 0.075312 0.542886 Li\n0.244451 0.448317 0.973142 Li\n0.919496 0.181271 0.011118 Mn\n0.418509 0.165630 0.977828 Mn\n0.451429 0.534954 0.216398 O\n0.601521 0.221379 0.230661 O\n0.800138 0.943030 0.234052 O\n0.121061 0.242015 0.247949 O\n0.972462 0.599860 0.268024 O\n0.534975 0.425261 0.737115 O\n0.870046 0.739159 0.740923 O\n0.379695 0.783688 0.751711 O\n0.720341 0.091726 0.766181 O\n0.217057 0.058674 0.775795 O\n0.045328 0.417275 0.795464 O\n0.059744 0.822658 0.988296 Zr\n0.583832 0.827826 0.995544 Zr\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Zr"
],
"chemical_system": "Li-Mn-O-Zr",
"density": 3.820295058010237,
"density_atomic": 0.10101187577590327,
"volume": 227.69599933997787,
"volume_molar": 5.961814602235713,
"formula_full": "Li8 Zr2 Mn2 O11",
"formula_reduced": "Li8Zr2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.45342267256913,
"spacegroup": 1
},
{
"id": "oqmd-694345",
"created_at": "2022-09-04T15:18:02.091729Z",
"updated_at": "2022-09-04T15:18:02.091758Z",
"structure_string": "Li8 Mn2 Sb2 O11\n1.0\n-4.996486 -9.060316 -0.041905\n-2.572515 4.571542 -0.074600\n1.629630 0.015135 -4.787444\nLi Mn O Sb\n8 2 11 2\ndirect\n0.748284 0.493317 0.001193 Li\n0.988606 0.990286 0.485764 Li\n0.175257 0.649055 0.491370 Li\n0.836689 0.346976 0.497707 Li\n0.321620 0.325084 0.513922 Li\n0.504861 0.042342 0.518631 Li\n0.687788 0.660969 0.524608 Li\n0.234416 0.491294 0.964659 Li\n0.912912 0.166898 0.005204 Mn\n0.418590 0.156888 0.983178 Mn\n0.291779 0.938942 0.224224 O\n0.119706 0.230941 0.226922 O\n0.609259 0.248182 0.230796 O\n0.799050 0.942746 0.243332 O\n0.971257 0.602154 0.252205 O\n0.380522 0.746290 0.732278 O\n0.535363 0.412139 0.753003 O\n0.888469 0.756672 0.756640 O\n0.034432 0.429748 0.773508 O\n0.219851 0.086130 0.774061 O\n0.702903 0.050190 0.781578 O\n0.081753 0.836836 0.000381 Sb\n0.568529 0.805857 0.023315 Sb\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Sb"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.368289405567176,
"density_atomic": 0.10344167257952294,
"volume": 222.34752616087363,
"volume_molar": 5.82177434860245,
"formula_full": "Li8 Mn2 Sb2 O11",
"formula_reduced": "Li8Mn2Sb2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.03444616474305,
"spacegroup": 1
},
{
"id": "oqmd-694349",
"created_at": "2022-09-04T15:18:02.201778Z",
"updated_at": "2022-09-04T15:18:02.201812Z",
"structure_string": "Li8 Mn2 Co2 O11\n1.0\n-4.942822 -8.612464 0.017890\n-2.482527 4.312554 0.011394\n1.700918 -0.003585 -4.699001\nCo Li Mn O\n2 8 2 11\ndirect\n0.585969 0.837848 0.006480 Co\n0.072219 0.820473 0.987265 Co\n0.996148 0.987516 0.489559 Li\n0.670054 0.667959 0.495298 Li\n0.329413 0.377113 0.503588 Li\n0.829151 0.342328 0.504270 Li\n0.524712 0.006314 0.522609 Li\n0.155554 0.631560 0.527116 Li\n0.245502 0.461367 0.984294 Li\n0.753483 0.506329 0.998159 Li\n0.424468 0.182420 0.981275 Mn\n0.919279 0.169510 0.999114 Mn\n0.792179 0.938406 0.226987 O\n0.455182 0.558126 0.230979 O\n0.114201 0.223903 0.231369 O\n0.978075 0.591186 0.233865 O\n0.602540 0.230709 0.238199 O\n0.522735 0.397981 0.744302 O\n0.879217 0.780313 0.758108 O\n0.382419 0.777570 0.768766 O\n0.720923 0.088923 0.772407 O\n0.211503 0.056369 0.780042 O\n0.043542 0.432297 0.785953 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Co",
"Li",
"Mn",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.8067629657137734,
"density_atomic": 0.11480803494285942,
"volume": 200.33441049180246,
"volume_molar": 5.2454000828402405,
"formula_full": "Li8 Mn2 Co2 O11",
"formula_reduced": "Li8Mn2Co2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.87078709230267,
"spacegroup": 1
},
{
"id": "oqmd-694316",
"created_at": "2022-09-04T15:18:01.874966Z",
"updated_at": "2022-09-04T15:18:01.874994Z",
"structure_string": "Li8 Mn2 Bi2 O11\n1.0\n-5.138422 -8.975108 0.145242\n-2.731124 4.579475 -0.076570\n1.793155 0.048493 -4.889799\nBi Li Mn O\n2 8 2 11\ndirect\n0.581488 0.830929 0.000397 Bi\n0.100162 0.832269 0.057955 Bi\n0.763607 0.519224 0.005632 Li\n0.327968 0.401551 0.491905 Li\n0.684306 0.658880 0.510855 Li\n0.992482 0.979653 0.520571 Li\n0.850067 0.354484 0.523224 Li\n0.136723 0.606340 0.529230 Li\n0.533517 0.078494 0.541014 Li\n0.226872 0.418788 0.951989 Li\n0.919667 0.167387 0.007832 Mn\n0.408194 0.164693 0.946821 Mn\n0.438152 0.526518 0.193923 O\n0.585016 0.205646 0.225063 O\n0.113573 0.269429 0.245383 O\n0.792744 0.928674 0.250869 O\n0.949102 0.570687 0.266772 O\n0.223290 0.082231 0.706983 O\n0.380098 0.792097 0.734181 O\n0.547462 0.444005 0.740110 O\n0.717950 0.081947 0.768488 O\n0.033544 0.390166 0.773322 O\n0.894582 0.756786 0.782027 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Bi",
"Li",
"Mn",
"O"
],
"chemical_system": "Bi-Li-Mn-O",
"density": 5.3674575844699275,
"density_atomic": 0.09790404177823489,
"volume": 234.92390694245213,
"volume_molar": 6.151064502159078,
"formula_full": "Li8 Mn2 Bi2 O11",
"formula_reduced": "Li8Mn2Bi2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.87645412865609,
"spacegroup": 1
},
{
"id": "oqmd-694369",
"created_at": "2022-09-04T15:18:01.918025Z",
"updated_at": "2022-09-04T15:18:01.918063Z",
"structure_string": "Li8 Mn2 Cr2 O11\n1.0\n-5.047931 -8.597567 -0.029441\n-2.490928 4.279720 0.003794\n1.691814 -0.003810 -4.716662\nCr Li Mn O\n2 8 2 11\ndirect\n0.081732 0.805792 0.982710 Cr\n0.584988 0.845286 0.998159 Cr\n0.749926 0.501729 0.000764 Li\n0.668956 0.658004 0.497066 Li\n0.496469 0.996512 0.498440 Li\n0.831784 0.332141 0.499517 Li\n0.180994 0.717053 0.506842 Li\n0.980957 0.964033 0.509211 Li\n0.354326 0.358625 0.514805 Li\n0.259936 0.518045 0.969301 Li\n0.414568 0.172451 0.001115 Mn\n0.909971 0.155692 0.996737 Mn\n0.461067 0.575951 0.227848 O\n0.607267 0.217553 0.230599 O\n0.291791 0.941462 0.232938 O\n0.792511 0.932035 0.234465 O\n0.971486 0.572279 0.240778 O\n0.382799 0.780663 0.760195 O\n0.694741 0.055013 0.760887 O\n0.038524 0.396437 0.774194 O\n0.214564 0.088618 0.774208 O\n0.883596 0.764377 0.775440 O\n0.536571 0.428107 0.783077 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Cr",
"Li",
"Mn",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.642087397658437,
"density_atomic": 0.11326322988291875,
"volume": 203.0667854322653,
"volume_molar": 5.316942458929648,
"formula_full": "Li8 Mn2 Cr2 O11",
"formula_reduced": "Li8Mn2Cr2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.1318538329395,
"spacegroup": 1
}
]
}