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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=12",
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{
"id": "oqmd-692125",
"created_at": "2022-09-04T15:17:39.974338Z",
"updated_at": "2022-09-04T15:17:39.974359Z",
"structure_string": "Pr4 Ga4 O11\n1.0\n5.443677 -0.088244 0.015934\n-0.089629 5.497028 -0.000907\n0.022819 -0.001133 7.824245\nGa O Pr\n4 11 4\ndirect\n0.966922 0.470756 0.002672 Ga\n0.997442 0.497992 0.499576 Ga\n0.504436 0.003935 0.500665 Ga\n0.506350 0.002889 0.998443 Ga\n0.784189 0.793790 0.040911 O\n0.429597 0.990668 0.248732 O\n0.081259 0.488858 0.254483 O\n0.711852 0.289206 0.448234 O\n0.785028 0.787684 0.458331 O\n0.288012 0.715110 0.542082 O\n0.213556 0.211407 0.543693 O\n0.919365 0.512485 0.746231 O\n0.585015 0.021942 0.749875 O\n0.281247 0.711644 0.959510 O\n0.229103 0.216658 0.960945 O\n0.507318 0.543897 0.246112 Pr\n0.999822 0.035504 0.253125 Pr\n0.481485 0.466553 0.748084 Pr\n0.015358 0.950961 0.755403 Pr\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Ga-O-Pr",
"density": 7.225580278116042,
"density_atomic": 0.08117258530333442,
"volume": 234.0691740813572,
"volume_molar": 7.418934283657246,
"formula_full": "Pr4 Ga4 O11",
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"formula_anonymous": "A4B4C11",
"formation_energy": -2.73646535182454,
"spacegroup": 1
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{
"id": "oqmd-694163",
"created_at": "2022-09-04T15:17:36.598365Z",
"updated_at": "2022-09-04T15:17:36.598398Z",
"structure_string": "Li8 Ga4 O11\n1.0\n-5.119669 -8.782885 -0.013122\n-2.526685 4.372342 0.031388\n1.749377 -0.013747 -4.697938\nGa Li O\n4 8 11\ndirect\n0.083498 0.838124 0.004328 Ga\n0.594485 0.854863 0.966573 Ga\n0.407184 0.117119 0.984600 Ga\n0.918761 0.170847 0.998177 Ga\n0.701410 0.680804 0.489433 Li\n0.167290 0.655146 0.496096 Li\n0.999154 0.999899 0.496943 Li\n0.830012 0.335435 0.502799 Li\n0.506262 0.055323 0.522372 Li\n0.308772 0.307214 0.529071 Li\n0.232999 0.487368 0.980068 Li\n0.752769 0.503180 0.998677 Li\n0.784717 0.925094 0.224886 O\n0.963888 0.581465 0.233922 O\n0.608389 0.216324 0.238206 O\n0.117978 0.238313 0.243069 O\n0.297196 0.945003 0.248105 O\n0.708993 0.064717 0.735575 O\n0.384535 0.745709 0.754374 O\n0.886655 0.771651 0.761293 O\n0.036856 0.424562 0.764985 O\n0.215627 0.083163 0.787197 O\n0.529194 0.419762 0.803078 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Ga-Li-O",
"density": 4.054673506716389,
"density_atomic": 0.11003036672621155,
"volume": 209.03320314500883,
"volume_molar": 5.473162490664859,
"formula_full": "Li8 Ga4 O11",
"formula_reduced": "Li8Ga4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.97006545542027,
"spacegroup": 1
},
{
"id": "oqmd-26185",
"created_at": "2022-09-04T15:17:38.452508Z",
"updated_at": "2022-09-04T15:17:38.452533Z",
"structure_string": "Eu4 Si8 N8 O8\n1.0\n6.994110 -0.002737 -0.026134\n1.744527 6.875564 -0.009844\n0.625117 0.000479 7.164489\nEu N O Si\n4 8 8 8\ndirect\n0.159990 0.119621 0.068312 Eu\n0.638212 0.225171 0.318339 Eu\n0.148960 0.112349 0.559054 Eu\n0.624397 0.218474 0.810867 Eu\n0.147241 0.727083 0.052252 N\n0.761214 0.738984 0.169970 N\n0.431937 0.600774 0.302534 N\n0.045327 0.593012 0.418291 N\n0.644473 0.744740 0.550816 N\n0.259378 0.733504 0.663127 N\n0.924879 0.606734 0.800614 N\n0.542569 0.610125 0.914390 N\n0.829633 0.341604 0.064787 O\n0.378373 0.329694 0.070172 O\n0.413685 0.999227 0.313148 O\n0.960715 0.992366 0.320614 O\n0.822570 0.344056 0.565928 O\n0.369522 0.336094 0.568220 O\n0.404828 0.005407 0.811732 O\n0.953346 0.005635 0.823544 O\n0.366601 0.559540 0.081178 Si\n0.977817 0.772268 0.249375 Si\n0.554331 0.782563 0.330378 Si\n0.279986 0.554958 0.496033 Si\n0.856067 0.561978 0.580349 Si\n0.470629 0.781904 0.742114 Si\n0.058810 0.775784 0.831210 Si\n0.776639 0.565817 0.995860 Si\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Si"
],
"chemical_system": "Eu-N-O-Si",
"density": 5.167394748232202,
"density_atomic": 0.08123577267622092,
"volume": 344.6757392411197,
"volume_molar": 7.413163636668137,
"formula_full": "Eu4 Si8 N8 O8",
"formula_reduced": "EuSi2(NO)2",
"formula_anonymous": "AB2C2D2",
"formation_energy": -2.3915645635635,
"spacegroup": 1
},
{
"id": "oqmd-692158",
"created_at": "2022-09-04T15:17:39.546815Z",
"updated_at": "2022-09-04T15:17:39.546840Z",
"structure_string": "Rb2 Sb2 O5\n1.0\n-2.937048 4.921668 0.025723\n2.773395 4.837983 -0.130109\n0.152519 3.313807 -6.085754\nO Rb Sb\n5 2 2\ndirect\n0.109846 0.501060 0.279420 O\n0.224197 0.909809 0.360201 O\n0.820025 0.026532 0.687775 O\n0.932383 0.463753 0.697712 O\n0.406908 0.923281 0.699346 O\n0.632696 0.618830 0.091722 Rb\n0.341281 0.388676 0.867866 Rb\n0.852045 0.850107 0.457222 Sb\n0.123296 0.160188 0.540723 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"O",
"Rb",
"Sb"
],
"chemical_system": "O-Rb-Sb",
"density": 4.875722390511559,
"density_atomic": 0.05344507824863728,
"volume": 168.3971713565501,
"volume_molar": 11.267905216610943,
"formula_full": "Rb2 Sb2 O5",
"formula_reduced": "Rb2Sb2O5",
"formula_anonymous": "A2B2C5",
"formation_energy": -1.73499958771042,
"spacegroup": 1
},
{
"id": "oqmd-692047",
"created_at": "2022-09-04T15:17:39.670711Z",
"updated_at": "2022-09-04T15:17:39.670742Z",
"structure_string": "Li4 Ir4 O11\n1.0\n5.036452 0.013775 -0.014760\n0.014121 5.131434 -0.011828\n-0.021422 -0.016873 7.304501\nIr Li O\n4 4 11\ndirect\n0.995781 0.507257 0.497801 Ir\n0.495829 0.010647 0.498562 Ir\n0.501570 0.989251 0.996385 Ir\n0.003625 0.494180 0.996470 Ir\n0.487872 0.561739 0.241051 Li\n0.001138 0.051437 0.247336 Li\n0.995489 0.948789 0.740754 Li\n0.498042 0.453791 0.743263 Li\n0.835871 0.822172 0.067902 O\n0.366746 0.946232 0.249320 O\n0.125799 0.441628 0.250587 O\n0.665913 0.334971 0.416408 O\n0.829704 0.839165 0.432457 O\n0.166833 0.181882 0.569196 O\n0.324233 0.685193 0.577051 O\n0.866040 0.558029 0.750974 O\n0.630165 0.067953 0.753145 O\n0.162674 0.155535 0.933385 O\n0.378876 0.622958 0.968136 O\n",
"nsites": 19,
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"elements": [
"Ir",
"Li",
"O"
],
"chemical_system": "Ir-Li-O",
"density": 8.555590755876667,
"density_atomic": 0.10064886901558781,
"volume": 188.77509688715338,
"volume_molar": 5.983316870721451,
"formula_full": "Li4 Ir4 O11",
"formula_reduced": "Li4Ir4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -1.28829997235086,
"spacegroup": 1
},
{
"id": "oqmd-692133",
"created_at": "2022-09-04T15:17:40.066161Z",
"updated_at": "2022-09-04T15:17:40.066187Z",
"structure_string": "Pr4 Ti4 O11\n1.0\n5.508972 -0.034135 0.008546\n-0.035653 5.568909 0.002332\n0.012340 0.003430 7.835808\nO Pr Ti\n11 4 4\ndirect\n0.792337 0.783732 0.042218 O\n0.436800 0.998022 0.247284 O\n0.070225 0.479906 0.248915 O\n0.702939 0.293810 0.453225 O\n0.786467 0.788040 0.462144 O\n0.284404 0.713010 0.536954 O\n0.203912 0.208258 0.542683 O\n0.578410 0.017414 0.749348 O\n0.919173 0.511484 0.751699 O\n0.222630 0.216131 0.960509 O\n0.297164 0.707774 0.960664 O\n0.506205 0.544104 0.238082 Pr\n0.999124 0.037736 0.255125 Pr\n0.487221 0.458602 0.745738 Pr\n0.008871 0.954036 0.761263 Pr\n0.515253 0.010639 0.000202 Ti\n0.498113 0.999440 0.499350 Ti\n0.996561 0.499309 0.499636 Ti\n0.991333 0.484786 0.999753 Ti\n",
"nsites": 19,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Pr-Ti",
"density": 6.431845345540892,
"density_atomic": 0.07904010372604292,
"volume": 240.3842999226694,
"volume_molar": 7.619095213833539,
"formula_full": "Pr4 Ti4 O11",
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"formula_anonymous": "A4B4C11",
"formation_energy": -3.23877359788481,
"spacegroup": 1
},
{
"id": "oqmd-691994",
"created_at": "2022-09-04T15:17:39.557590Z",
"updated_at": "2022-09-04T15:17:39.557616Z",
"structure_string": "Eu4 Pd4 O11\n1.0\n5.415351 0.009654 0.041869\n0.009968 5.655131 -0.024884\n0.060119 -0.033967 7.732141\nEu O Pd\n4 11 4\ndirect\n0.510212 0.573437 0.248100 Eu\n0.000965 0.050364 0.252670 Eu\n0.464233 0.440639 0.740770 Eu\n0.024637 0.928085 0.756376 Eu\n0.805945 0.802298 0.049200 O\n0.091617 0.464032 0.247793 O\n0.415263 0.983069 0.251269 O\n0.693000 0.300370 0.438785 O\n0.806811 0.799955 0.449836 O\n0.306480 0.698262 0.540961 O\n0.187433 0.196172 0.550217 O\n0.609161 0.040092 0.751473 O\n0.887534 0.520428 0.752418 O\n0.196670 0.201287 0.953047 O\n0.307432 0.698365 0.968394 O\n0.992702 0.496887 0.499333 Pd\n0.504129 0.003718 0.502096 Pd\n0.992495 0.494882 0.998805 Pd\n0.510189 0.006698 0.998882 Pd\n",
"nsites": 19,
"nelements": 3,
"elements": [
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"O",
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],
"chemical_system": "Eu-O-Pd",
"density": 8.482666676147938,
"density_atomic": 0.08024546095944225,
"volume": 236.77351681739358,
"volume_molar": 7.5046497184977445,
"formula_full": "Eu4 Pd4 O11",
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"formula_anonymous": "A4B4C11",
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"spacegroup": 1
},
{
"id": "oqmd-691887",
"created_at": "2022-09-04T15:17:39.113455Z",
"updated_at": "2022-09-04T15:17:39.113465Z",
"structure_string": "Ac4 Pd4 O11\n1.0\n5.720954 -0.007433 0.026582\n-0.007707 5.887439 -0.011147\n0.037869 -0.015308 8.054450\nAc O Pd\n4 11 4\ndirect\n0.502815 0.563010 0.243653 Ac\n0.004797 0.040233 0.259033 Ac\n0.476813 0.452724 0.739475 Ac\n0.017160 0.937787 0.758827 Ac\n0.797466 0.793981 0.048919 O\n0.076839 0.473153 0.248134 O\n0.430776 0.986799 0.250484 O\n0.700581 0.294773 0.443599 O\n0.792787 0.788373 0.458116 O\n0.292730 0.707294 0.530182 O\n0.199909 0.202522 0.543511 O\n0.902637 0.516576 0.752513 O\n0.598407 0.037094 0.753279 O\n0.207600 0.208729 0.958857 O\n0.299989 0.703685 0.961235 O\n0.979917 0.483594 0.001765 Pd\n0.517223 0.018966 0.002873 Pd\n0.992422 0.493662 0.499520 Pd\n0.505322 0.004042 0.502393 Pd\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Ac-O-Pd",
"density": 9.240875378085919,
"density_atomic": 0.07003814159684985,
"volume": 271.28075598245994,
"volume_molar": 8.59837314739782,
"formula_full": "Ac4 Pd4 O11",
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"formula_anonymous": "A4B4C11",
"formation_energy": -2.15379853129823,
"spacegroup": 1
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{
"id": "oqmd-691955",
"created_at": "2022-09-04T15:17:38.985927Z",
"updated_at": "2022-09-04T15:17:38.985954Z",
"structure_string": "Ti2 Cr2 O5\n1.0\n-2.620034 4.430600 -0.016659\n2.483685 4.351488 -0.004949\n-0.056884 2.939109 -4.647327\nCr O Ti\n2 5 2\ndirect\n0.658682 0.643247 0.071567 Cr\n0.334858 0.361338 0.958791 Cr\n0.227584 0.961993 0.247509 O\n0.555700 0.240978 0.250546 O\n0.458049 0.755442 0.710843 O\n0.053762 0.441792 0.745110 O\n0.776686 0.037819 0.747385 O\n0.845184 0.856209 0.448856 Ti\n0.144243 0.144169 0.564831 Ti\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.467895807726713,
"density_atomic": 0.0865701082999128,
"volume": 103.96198152854876,
"volume_molar": 6.956374293927118,
"formula_full": "Ti2 Cr2 O5",
"formula_reduced": "Ti2Cr2O5",
"formula_anonymous": "A2B2C5",
"formation_energy": -2.54310351283165,
"spacegroup": 1
},
{
"id": "oqmd-692182",
"created_at": "2022-09-04T15:17:38.995293Z",
"updated_at": "2022-09-04T15:17:38.995335Z",
"structure_string": "Sn2 Ge2 O5\n1.0\n-2.394008 4.288387 -0.007968\n2.469630 4.332086 -0.096087\n0.136589 2.947741 -6.421714\nGe O Sn\n2 5 2\ndirect\n0.815526 0.856174 0.495091 Ge\n0.182431 0.169374 0.496527 Ge\n0.922086 0.579919 0.321735 O\n0.187922 0.939794 0.325530 O\n0.814407 0.090839 0.656187 O\n0.084960 0.451518 0.657698 O\n0.440659 0.796730 0.685590 O\n0.605634 0.570227 0.175584 Sn\n0.389583 0.357166 0.853188 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"O",
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],
"chemical_system": "Ge-O-Sn",
"density": 5.74136789091284,
"density_atomic": 0.0672530685208094,
"volume": 133.82289013645862,
"volume_molar": 8.954447570130771,
"formula_full": "Sn2 Ge2 O5",
"formula_reduced": "Sn2Ge2O5",
"formula_anonymous": "A2B2C5",
"formation_energy": -1.46557991701069,
"spacegroup": 1
},
{
"id": "oqmd-691893",
"created_at": "2022-09-04T15:17:39.103409Z",
"updated_at": "2022-09-04T15:17:39.103433Z",
"structure_string": "Ac4 Tm4 O11\n1.0\n5.963158 -0.012785 0.003267\n-0.013157 6.065468 -0.010039\n0.004641 -0.014042 8.495138\nAc O Tm\n4 11 4\ndirect\n0.512480 0.547743 0.253374 Ac\n0.993832 0.035625 0.254826 Ac\n0.488994 0.457625 0.747826 Ac\n0.010414 0.958886 0.753634 Ac\n0.795858 0.789471 0.060103 O\n0.398534 0.960744 0.247450 O\n0.106914 0.458649 0.249479 O\n0.792919 0.794488 0.441870 O\n0.696960 0.300890 0.442984 O\n0.196398 0.199665 0.555429 O\n0.294886 0.704672 0.556424 O\n0.605394 0.038284 0.748685 O\n0.894679 0.541445 0.750460 O\n0.212872 0.207061 0.940908 O\n0.294886 0.706926 0.941068 O\n0.498446 0.001051 0.499960 Tm\n0.999004 0.499720 0.500740 Tm\n0.502618 0.998316 0.998276 Tm\n0.005471 0.498141 0.999846 Tm\n",
"nsites": 19,
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"elements": [
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"Tm"
],
"chemical_system": "Ac-O-Tm",
"density": 9.5101520437704,
"density_atomic": 0.061836637600272054,
"volume": 307.261208522056,
"volume_molar": 9.738790777934382,
"formula_full": "Ac4 Tm4 O11",
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"formula_anonymous": "A4B4C11",
"formation_energy": -3.60285384498244,
"spacegroup": 1
},
{
"id": "oqmd-691945",
"created_at": "2022-09-04T15:17:39.121467Z",
"updated_at": "2022-09-04T15:17:39.121491Z",
"structure_string": "Ce4 Ni4 O11\n1.0\n5.462142 -0.037972 0.056714\n-0.037233 5.405972 0.052368\n0.080265 0.075849 7.762802\nCe Ni O\n4 4 11\ndirect\n0.497205 0.537388 0.260437 Ce\n0.011752 0.017664 0.267602 Ce\n0.482788 0.476875 0.730415 Ce\n0.006239 0.963515 0.751486 Ce\n0.010202 0.507701 0.000243 Ni\n0.502124 0.005313 0.501049 Ni\n0.990891 0.494407 0.502808 Ni\n0.491269 0.991889 0.998294 Ni\n0.782749 0.794844 0.045453 O\n0.460945 0.042724 0.236107 O\n0.044140 0.476618 0.245394 O\n0.720865 0.272263 0.462086 O\n0.759996 0.770368 0.471173 O\n0.270082 0.732079 0.512420 O\n0.226781 0.223633 0.534461 O\n0.574783 0.023918 0.760143 O\n0.919531 0.493396 0.760382 O\n0.301780 0.699976 0.962123 O\n0.213886 0.206322 0.963788 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"O"
],
"chemical_system": "Ce-Ni-O",
"density": 7.037614777044704,
"density_atomic": 0.08291010372575032,
"volume": 229.1638672030627,
"volume_molar": 7.263458238962058,
"formula_full": "Ce4 Ni4 O11",
"formula_reduced": "Ce4Ni4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.33190018686405,
"spacegroup": 1
}
]
}