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{
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{
"id": "oqmd-694458",
"created_at": "2022-09-04T15:18:02.665645Z",
"updated_at": "2022-09-04T15:18:02.665662Z",
"structure_string": "Os4 O11\n1.0\n-5.198744 -8.525411 0.115051\n-2.522067 4.214792 0.016919\n1.803128 0.038008 -4.469067\nO Os\n11 4\ndirect\n0.481638 0.630619 0.201391 O\n0.791543 0.930177 0.203496 O\n0.294112 0.967561 0.235950 O\n0.997990 0.543618 0.258487 O\n0.602292 0.249766 0.273075 O\n0.365375 0.764378 0.695134 O\n0.904287 0.750348 0.719842 O\n0.515372 0.436697 0.749685 O\n0.692089 0.065792 0.757666 O\n0.210325 0.079183 0.802411 O\n0.026478 0.370725 0.803264 O\n0.937931 0.100908 0.031485 Os\n0.083859 0.813077 0.035004 Os\n0.565602 0.884018 0.955779 Os\n0.421599 0.194123 0.981061 Os\n",
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"elements": [
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"density": 8.066278552594868,
"density_atomic": 0.07777068542815528,
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"formula_full": "Os4 O11",
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"spacegroup": 1
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{
"id": "oqmd-694487",
"created_at": "2022-09-04T15:18:02.680860Z",
"updated_at": "2022-09-04T15:18:02.680877Z",
"structure_string": "Fe4 O11\n1.0\n-4.908716 -8.669591 0.578371\n-2.430244 4.323758 0.328656\n2.218203 -0.012353 -4.181854\nFe O\n4 11\ndirect\n0.096160 0.820888 0.004332 Fe\n0.417659 0.147235 0.004800 Fe\n0.904493 0.159224 0.966271 Fe\n0.567529 0.832560 0.986670 Fe\n0.803685 0.990228 0.210809 O\n0.638928 0.275671 0.244685 O\n0.011578 0.632975 0.253614 O\n0.328493 0.991321 0.269636 O\n0.512580 0.682840 0.317792 O\n0.639588 0.936513 0.652415 O\n0.992418 0.338711 0.714129 O\n0.346530 0.695113 0.730818 O\n0.498522 0.367668 0.768890 O\n0.901245 0.787360 0.809544 O\n0.204404 0.069323 0.813191 O\n",
"nsites": 15,
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"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.019378795088056,
"density_atomic": 0.09091215719478675,
"volume": 164.9944348791688,
"volume_molar": 6.62413140972672,
"formula_full": "Fe4 O11",
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"spacegroup": 1
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{
"id": "oqmd-694433",
"created_at": "2022-09-04T15:18:02.716031Z",
"updated_at": "2022-09-04T15:18:02.716060Z",
"structure_string": "Ir2 O5\n1.0\n-2.776998 -4.806580 0.024497\n-1.952021 4.332381 -0.018373\n1.612063 0.177359 -4.417003\nIr O\n2 5\ndirect\n0.174528 0.854847 0.990298 Ir\n0.827879 0.147287 0.991714 Ir\n0.590773 0.025736 0.251958 O\n0.131732 0.120899 0.270422 O\n0.790229 0.766482 0.744905 O\n0.074939 0.424016 0.757386 O\n0.450295 0.082527 0.763899 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 8.157671284694871,
"density_atomic": 0.0740446941247543,
"volume": 94.53749634249337,
"volume_molar": 8.13311585817829,
"formula_full": "Ir2 O5",
"formula_reduced": "Ir2O5",
"formula_anonymous": "A2B5",
"formation_energy": -0.577739321341968,
"spacegroup": 1
},
{
"id": "oqmd-694426",
"created_at": "2022-09-04T15:18:02.757997Z",
"updated_at": "2022-09-04T15:18:02.758020Z",
"structure_string": "Hf2 O5\n1.0\n-2.852664 -5.522641 0.538938\n-2.626233 5.438059 -0.920013\n1.628410 0.442221 -2.707052\nHf O\n2 5\ndirect\n0.945121 0.197397 0.129452 Hf\n0.115053 0.841056 0.849679 Hf\n0.860384 0.795884 0.126193 O\n0.512544 0.875887 0.434503 O\n0.967450 0.451665 0.597687 O\n0.476770 0.065178 0.637467 O\n0.206682 0.233521 0.860148 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Hf",
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],
"chemical_system": "Hf-O",
"density": 8.745377631936453,
"density_atomic": 0.08436628605614002,
"volume": 82.97153196173619,
"volume_molar": 7.138089207805918,
"formula_full": "Hf2 O5",
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"formula_anonymous": "A2B5",
"formation_energy": -3.01018234134197,
"spacegroup": 1
},
{
"id": "oqmd-694482",
"created_at": "2022-09-04T15:18:02.788004Z",
"updated_at": "2022-09-04T15:18:02.788032Z",
"structure_string": "Sn4 O11\n1.0\n-5.402165 -10.183162 0.942893\n-2.837439 5.155156 0.408434\n2.541901 -0.005148 -4.232963\nO Sn\n11 4\ndirect\n0.256805 0.128454 0.002850 O\n0.599786 0.161571 0.215618 O\n0.830557 0.079936 0.268626 O\n0.064562 0.684383 0.293903 O\n0.582756 0.671825 0.321347 O\n0.139730 0.302943 0.389036 O\n0.315024 0.631796 0.614735 O\n0.944982 0.337364 0.647328 O\n0.449203 0.294532 0.665942 O\n0.658260 0.924775 0.678111 O\n0.873126 0.786816 0.714520 O\n0.062802 0.849213 0.000428 Sn\n0.549771 0.758612 0.935028 Sn\n0.415967 0.123869 0.956140 Sn\n0.929674 0.198351 0.992776 Sn\n",
"nsites": 15,
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"elements": [
"O",
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"chemical_system": "O-Sn",
"density": 4.974241281690349,
"density_atomic": 0.06903974469402024,
"volume": 217.2661568561565,
"volume_molar": 8.722715859813425,
"formula_full": "Sn4 O11",
"formula_reduced": "Sn4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.20465719413807,
"spacegroup": 1
},
{
"id": "oqmd-694481",
"created_at": "2022-09-04T15:18:02.885338Z",
"updated_at": "2022-09-04T15:18:02.885364Z",
"structure_string": "Sn4 O11\n1.0\n-6.122944 -10.325366 0.491946\n-2.216819 4.745852 1.049263\n2.746610 -0.158477 -4.303393\nO Sn\n11 4\ndirect\n0.809966 0.048896 0.225957 O\n0.101028 0.593718 0.264077 O\n0.622864 0.401362 0.264431 O\n0.342674 0.023732 0.277434 O\n0.536379 0.779584 0.354301 O\n0.942571 0.235738 0.594681 O\n0.329462 0.580804 0.668982 O\n0.475892 0.307293 0.689903 O\n0.679716 0.032593 0.752769 O\n0.895563 0.698386 0.866177 O\n0.196413 0.100558 0.878513 O\n0.597516 0.946738 0.068461 Sn\n0.130554 0.938937 0.137930 Sn\n0.852205 0.990551 0.822947 Sn\n0.347337 0.041392 0.865848 Sn\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Sn"
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"chemical_system": "O-Sn",
"density": 5.79363486494859,
"density_atomic": 0.08041247886361073,
"volume": 186.538211630583,
"volume_molar": 7.489062450386932,
"formula_full": "Sn4 O11",
"formula_reduced": "Sn4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.22136784813807,
"spacegroup": 1
},
{
"id": "oqmd-694246",
"created_at": "2022-09-04T15:18:02.907199Z",
"updated_at": "2022-09-04T15:18:02.907216Z",
"structure_string": "Li8 Te4 O11\n1.0\n-5.009508 -10.582745 0.421939\n-2.465840 5.294832 -0.446308\n1.487959 0.354599 -5.161153\nLi O Te\n8 11 4\ndirect\n0.745485 0.565333 0.089795 Li\n0.779944 0.274232 0.425844 Li\n0.956013 0.964579 0.488925 Li\n0.365117 0.339919 0.497978 Li\n0.463119 0.009538 0.515819 Li\n0.677109 0.651558 0.519181 Li\n0.122578 0.702640 0.543136 Li\n0.256098 0.423509 0.817112 Li\n0.452297 0.497722 0.176401 O\n0.791169 0.932219 0.226029 O\n0.281673 0.940971 0.298648 O\n0.599849 0.278692 0.314162 O\n0.940255 0.646488 0.318483 O\n0.421243 0.695295 0.671434 O\n0.072320 0.363527 0.696073 O\n0.764062 0.090391 0.735009 O\n0.225937 0.065189 0.771298 O\n0.563526 0.480499 0.809574 O\n0.875852 0.804511 0.809650 O\n0.407883 0.127289 0.033898 Te\n0.060039 0.845874 0.054126 Te\n0.959363 0.221010 0.957744 Te\n0.595021 0.830916 0.965135 Te\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Te"
],
"chemical_system": "Li-O-Te",
"density": 4.494326697229293,
"density_atomic": 0.08390454353174889,
"volume": 274.1210312561555,
"volume_molar": 7.177371458699687,
"formula_full": "Li8 Te4 O11",
"formula_reduced": "Li8Te4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.6799747429565,
"spacegroup": 1
},
{
"id": "oqmd-694256",
"created_at": "2022-09-04T15:18:02.995673Z",
"updated_at": "2022-09-04T15:18:02.995716Z",
"structure_string": "Li8 U4 O11\n1.0\n-6.631010 -10.098289 -0.338555\n-2.824638 4.762593 0.332185\n2.206119 -0.153155 -4.851173\nLi O U\n8 11 4\ndirect\n0.428116 0.936015 0.472269 Li\n0.209153 0.753552 0.472341 Li\n0.741015 0.727572 0.481181 Li\n0.753745 0.262158 0.514958 Li\n0.070450 0.046937 0.523886 Li\n0.308759 0.292020 0.538586 Li\n0.263766 0.533732 0.968924 Li\n0.731321 0.493879 0.978707 Li\n0.632362 0.297618 0.215423 O\n0.275135 0.914212 0.220777 O\n0.762739 0.918546 0.225454 O\n0.472703 0.683948 0.234337 O\n0.015575 0.626711 0.365914 O\n0.499366 0.357149 0.713746 O\n0.366949 0.761327 0.730961 O\n0.736285 0.079177 0.774722 O\n0.233924 0.123002 0.787618 O\n0.036987 0.298253 0.789086 O\n0.856968 0.688999 0.793749 O\n0.919673 0.161268 0.066563 U\n0.421444 0.218454 0.071452 U\n0.065082 0.745024 0.873603 U\n0.576138 0.835759 0.928613 U\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"U"
],
"chemical_system": "Li-O-U",
"density": 6.842345037256754,
"density_atomic": 0.08006913960828817,
"volume": 287.2517440866719,
"volume_molar": 7.5211758106323305,
"formula_full": "Li8 U4 O11",
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"formula_anonymous": "A4B8C11",
"formation_energy": -2.63210629933751,
"spacegroup": 1
},
{
"id": "oqmd-694147",
"created_at": "2022-09-04T15:18:03.528521Z",
"updated_at": "2022-09-04T15:18:03.528553Z",
"structure_string": "Li8 Co4 O11\n1.0\n-4.976571 -8.689680 -0.043842\n-2.449272 4.322555 0.028816\n1.682632 -0.020416 -4.680545\nCo Li O\n4 8 11\ndirect\n0.078516 0.831882 0.006922 Co\n0.409348 0.140674 0.007889 Co\n0.591035 0.855385 0.962027 Co\n0.918699 0.161465 0.994111 Co\n0.694715 0.681469 0.484093 Li\n0.832500 0.343385 0.496061 Li\n0.999244 0.000606 0.496709 Li\n0.169813 0.657852 0.501944 Li\n0.503015 0.044699 0.524391 Li\n0.312997 0.297180 0.532041 Li\n0.750952 0.507323 0.987430 Li\n0.236663 0.495979 0.995525 Li\n0.778235 0.931045 0.212379 O\n0.604794 0.201049 0.221275 O\n0.970609 0.602219 0.230413 O\n0.118593 0.225251 0.243290 O\n0.304061 0.939137 0.254663 O\n0.700335 0.062218 0.727347 O\n0.884185 0.767980 0.745600 O\n0.389988 0.740486 0.766077 O\n0.035744 0.428739 0.770014 O\n0.216338 0.075355 0.804987 O\n0.529790 0.423814 0.807219 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Li",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.8756740932834632,
"density_atomic": 0.11488750374949996,
"volume": 200.19583722655395,
"volume_molar": 5.241771788453722,
"formula_full": "Li8 Co4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694281",
"created_at": "2022-09-04T15:18:03.872493Z",
"updated_at": "2022-09-04T15:18:03.872521Z",
"structure_string": "Li8 Mn2 Pt2 O11\n1.0\n-5.002043 -8.738497 -0.046435\n-2.529315 4.385625 0.003244\n1.688529 -0.019937 -4.746408\nLi Mn O Pt\n8 2 11 2\ndirect\n0.996874 0.987926 0.491879 Li\n0.669057 0.660964 0.496998 Li\n0.828839 0.340726 0.501539 Li\n0.336790 0.369721 0.503206 Li\n0.159397 0.634981 0.513794 Li\n0.519438 0.019219 0.523068 Li\n0.249610 0.477973 0.977699 Li\n0.746632 0.500781 0.996706 Li\n0.580820 0.828317 0.000979 Mn\n0.084297 0.838473 0.989376 Mn\n0.460358 0.588379 0.232633 O\n0.125255 0.235067 0.233961 O\n0.780363 0.919341 0.234242 O\n0.979691 0.604214 0.238123 O\n0.613672 0.214976 0.239965 O\n0.877913 0.757536 0.753204 O\n0.203541 0.060658 0.754138 O\n0.542118 0.446731 0.758027 O\n0.385054 0.761855 0.764191 O\n0.047339 0.438437 0.772973 O\n0.706882 0.076703 0.776114 O\n0.918259 0.168319 0.001185 Pt\n0.406049 0.150033 0.011563 Pt\n",
"nsites": 23,
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"elements": [
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"O",
"Pt"
],
"chemical_system": "Li-Mn-O-Pt",
"density": 5.803445044991134,
"density_atomic": 0.10987816664460118,
"volume": 209.32274993623673,
"volume_molar": 5.4807437582012986,
"formula_full": "Li8 Mn2 Pt2 O11",
"formula_reduced": "Li8Mn2Pt2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.77898346648218,
"spacegroup": 1
},
{
"id": "oqmd-694483",
"created_at": "2022-09-04T15:18:04.494470Z",
"updated_at": "2022-09-04T15:18:04.494489Z",
"structure_string": "Pb4 O11\n1.0\n-5.750576 -11.077799 -0.059746\n-3.115256 5.699934 0.226726\n2.149176 -0.158104 -3.323094\nO Pb\n11 4\ndirect\n0.597401 0.260539 0.208724 O\n0.973474 0.524163 0.214992 O\n0.820925 0.041063 0.312926 O\n0.263834 0.532087 0.336772 O\n0.300106 0.913884 0.341116 O\n0.095013 0.371001 0.593218 O\n0.648624 0.890141 0.622843 O\n0.257953 0.533571 0.648779 O\n0.880607 0.697431 0.739300 O\n0.467924 0.480937 0.765156 O\n0.218059 0.138986 0.913261 O\n0.422942 0.245538 0.088090 Pb\n0.610191 0.948183 0.131038 Pb\n0.900573 0.082020 0.889828 Pb\n0.082259 0.755719 0.943731 Pb\n",
"nsites": 15,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Pb",
"density": 7.629060488364997,
"density_atomic": 0.0685861533475917,
"volume": 218.70303651497466,
"volume_molar": 8.780403136883983,
"formula_full": "Pb4 O11",
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"spacegroup": 1
},
{
"id": "oqmd-694969",
"created_at": "2022-09-04T15:18:04.784554Z",
"updated_at": "2022-09-04T15:18:04.784576Z",
"structure_string": "Mn1 Co1 O6\n1.0\n-2.296017 -4.119533 0.241237\n-2.465997 4.214627 0.008053\n1.838000 0.083284 -4.088498\nCo Mn O\n1 1 6\ndirect\n0.135405 0.815190 0.978411 Co\n0.848873 0.182123 0.019473 Mn\n0.960894 0.603259 0.249055 O\n0.605534 0.953366 0.252104 O\n0.276908 0.243870 0.254444 O\n0.380896 0.041364 0.742023 O\n0.743776 0.752733 0.749135 O\n0.047873 0.407955 0.755366 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Co-Mn-O",
"density": 4.4046107810530355,
"density_atomic": 0.10111205758327088,
"volume": 79.12013849991725,
"volume_molar": 5.9559076374649615,
"formula_full": "Mn1 Co1 O6",
"formula_reduced": "MnCoO6",
"formula_anonymous": "ABC6",
"formation_energy": -0.545778973677511,
"spacegroup": 1
}
]
}