HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=71",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=69",
"results": [
{
"id": "oqmd-824641",
"created_at": "2022-09-04T15:22:44.697811Z",
"updated_at": "2022-09-04T15:22:44.697839Z",
"structure_string": "Li4 Sb3 P1\n1.0\n4.390937 -0.001055 -0.000324\n0.084986 6.648400 -0.016434\n0.083390 3.201481 6.897599\nLi P Sb\n4 1 3\ndirect\n0.577446 0.536134 0.351413 Li\n0.080724 0.238171 0.419056 Li\n0.075742 0.035071 0.905733 Li\n0.580571 0.745514 0.989920 Li\n0.079650 0.630394 0.151677 P\n0.591106 0.710762 0.632017 Sb\n0.578245 0.121337 0.661214 Sb\n0.089995 0.467174 0.905693 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"P",
"Sb"
],
"chemical_system": "Li-P-Sb",
"density": 3.49270046606016,
"density_atomic": 0.03968425048458347,
"volume": 201.59130895285116,
"volume_molar": 15.175140481333974,
"formula_full": "Li4 Sb3 P1",
"formula_reduced": "Li4Sb3P",
"formula_anonymous": "AB3C4",
"formation_energy": -0.418461489244992,
"spacegroup": 1
},
{
"id": "oqmd-825261",
"created_at": "2022-09-04T15:22:44.728749Z",
"updated_at": "2022-09-04T15:22:44.728770Z",
"structure_string": "Li6 Pd4 O11\n1.0\n-5.030201 -8.881098 -0.014122\n-2.522341 4.444056 0.014684\n1.718574 -0.011271 -4.733914\nLi O Pd\n6 11 4\ndirect\n0.746495 0.507093 0.000548 Li\n0.843989 0.355067 0.492638 Li\n0.703807 0.685187 0.494944 Li\n0.162659 0.670786 0.532376 Li\n0.314674 0.285289 0.533792 Li\n0.236592 0.498871 0.973667 Li\n0.774845 0.911816 0.225952 O\n0.957624 0.574646 0.231207 O\n0.117526 0.250388 0.241075 O\n0.619375 0.223749 0.243773 O\n0.274131 0.870693 0.279883 O\n0.555101 0.460122 0.700257 O\n0.376554 0.733057 0.719824 O\n0.701243 0.063273 0.735458 O\n0.039665 0.438854 0.773703 O\n0.889120 0.763412 0.779751 O\n0.230057 0.110169 0.812702 O\n0.915728 0.167819 0.002092 Pd\n0.094629 0.859571 0.014940 Pd\n0.493649 0.011829 0.488573 Pd\n0.566623 0.811934 0.991168 Pd\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Li",
"O",
"Pd"
],
"chemical_system": "Li-O-Pd",
"density": 5.044851694573595,
"density_atomic": 0.09917265787406054,
"volume": 211.75191277688575,
"volume_molar": 6.072380118769755,
"formula_full": "Li6 Pd4 O11",
"formula_reduced": "Li6Pd4O11",
"formula_anonymous": "A4B6C11",
"formation_energy": -1.16393902974601,
"spacegroup": 1
},
{
"id": "oqmd-825103",
"created_at": "2022-09-04T15:22:44.738585Z",
"updated_at": "2022-09-04T15:22:44.738611Z",
"structure_string": "Ru4 O11\n1.0\n-5.137086 -8.795643 0.120593\n-2.684343 4.466478 0.126625\n1.933422 -0.054581 -4.424606\nO Ru\n11 4\ndirect\n0.983587 0.565788 0.182067 O\n0.799881 0.009350 0.215729 O\n0.116537 0.189138 0.231847 O\n0.602007 0.235626 0.267010 O\n0.312778 0.057104 0.289271 O\n0.394066 0.736458 0.657088 O\n0.193860 0.991891 0.723227 O\n0.704717 0.027484 0.737000 O\n0.906840 0.776189 0.744056 O\n0.053926 0.395687 0.772378 O\n0.487385 0.525521 0.976986 O\n0.595636 0.942830 0.004078 Ru\n0.291735 0.307953 0.598003 Ru\n0.094726 0.796973 0.969714 Ru\n0.920657 0.138083 0.974028 Ru\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Ru"
],
"chemical_system": "O-Ru",
"density": 4.7518803786376935,
"density_atomic": 0.07397330083903778,
"volume": 202.77586412750802,
"volume_molar": 8.140965310043253,
"formula_full": "Ru4 O11",
"formula_reduced": "Ru4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.95311796164442,
"spacegroup": 1
},
{
"id": "oqmd-824671",
"created_at": "2022-09-04T15:22:44.755013Z",
"updated_at": "2022-09-04T15:22:44.755031Z",
"structure_string": "Ce1 Sb4 S2\n1.0\n3.993566 -0.027476 0.014359\n0.040298 4.179169 0.005990\n1.952102 1.593637 12.569229\nCe S Sb\n1 2 4\ndirect\n0.225024 0.057027 0.304504 Ce\n0.752440 0.580140 0.247283 S\n0.645179 0.101868 0.470058 S\n0.374016 0.178581 0.026554 Sb\n0.576877 0.688850 0.631317 Sb\n0.026022 0.051522 0.734042 Sb\n0.915662 0.730274 0.950286 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"S",
"Sb"
],
"chemical_system": "Ce-S-Sb",
"density": 5.475690612594175,
"density_atomic": 0.033391050516072704,
"volume": 209.6370102710775,
"volume_molar": 18.035194062257062,
"formula_full": "Ce1 Sb4 S2",
"formula_reduced": "Ce(Sb2S)2",
"formula_anonymous": "AB2C4",
"formation_energy": -0.681306682218103,
"spacegroup": 1
},
{
"id": "oqmd-825049",
"created_at": "2022-09-04T15:22:44.756921Z",
"updated_at": "2022-09-04T15:22:44.756949Z",
"structure_string": "Ni4 O12\n1.0\n-2.265836 -4.003978 0.035274\n-2.331501 4.041430 -0.000239\n3.184895 0.010712 -8.283812\nNi O\n4 12\ndirect\n0.342457 0.643260 0.243450 Ni\n0.199238 0.855825 0.515124 Ni\n0.881252 0.194036 0.516406 Ni\n0.117785 0.810086 0.986482 Ni\n0.228216 0.255912 0.079403 O\n0.540683 0.899638 0.107374 O\n0.928013 0.588359 0.127146 O\n0.799256 0.797190 0.381379 O\n0.449042 0.069701 0.383870 O\n0.108597 0.449173 0.389862 O\n0.619715 0.940881 0.629339 O\n0.951741 0.603037 0.631971 O\n0.285847 0.264103 0.640266 O\n0.339834 0.008435 0.849267 O\n0.015624 0.381992 0.882608 O\n0.689706 0.731393 0.886059 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.639770520957659,
"density_atomic": 0.10475558031170772,
"volume": 152.73649339148193,
"volume_molar": 5.748754139951962,
"formula_full": "Ni4 O12",
"formula_reduced": "NiO3",
"formula_anonymous": "AB3",
"formation_energy": 0.121959698356514,
"spacegroup": 1
},
{
"id": "oqmd-825046",
"created_at": "2022-09-04T15:22:45.199444Z",
"updated_at": "2022-09-04T15:22:45.199461Z",
"structure_string": "Fe4 O12\n1.0\n-2.436609 -4.260491 0.283861\n-2.456736 4.276203 0.269304\n4.294591 -0.005533 -8.475299\nFe O\n4 12\ndirect\n0.976890 0.993628 0.230341 Fe\n0.881509 0.237441 0.510214 Fe\n0.222721 0.888108 0.511816 Fe\n0.115264 0.751684 0.987146 Fe\n0.880600 0.579253 0.099625 O\n0.550428 0.873371 0.107989 O\n0.184574 0.160370 0.113352 O\n0.806389 0.818122 0.378039 O\n0.112771 0.441557 0.398685 O\n0.431094 0.118208 0.399435 O\n0.739645 0.088104 0.668875 O\n0.405403 0.407916 0.669102 O\n0.050889 0.731121 0.670052 O\n0.570886 0.575361 0.831994 O\n0.287774 0.910390 0.836114 O\n0.944566 0.264014 0.837221 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.133222521778994,
"density_atomic": 0.09587858551029635,
"volume": 166.87772264101423,
"volume_molar": 6.2810070965776665,
"formula_full": "Fe4 O12",
"formula_reduced": "FeO3",
"formula_anonymous": "AB3",
"formation_energy": -0.821017272137627,
"spacegroup": 1
},
{
"id": "oqmd-825062",
"created_at": "2022-09-04T15:22:45.614099Z",
"updated_at": "2022-09-04T15:22:45.614118Z",
"structure_string": "Os4 O11\n1.0\n-5.062737 -8.265013 -0.184182\n-2.646159 4.199726 0.143589\n1.804541 -0.140636 -4.350976\nO Os\n11 4\ndirect\n0.798476 0.961178 0.224136 O\n0.981785 0.627549 0.224253 O\n0.285678 0.894109 0.236935 O\n0.131735 0.271882 0.290077 O\n0.621817 0.249999 0.297163 O\n0.878805 0.767902 0.711958 O\n0.409180 0.770185 0.728171 O\n0.020950 0.410932 0.758850 O\n0.203198 0.018199 0.762978 O\n0.699749 0.077498 0.796655 O\n0.528616 0.401409 0.816310 O\n0.583609 0.819676 0.024364 Os\n0.940403 0.197700 0.024432 Os\n0.478012 0.023563 0.477208 Os\n0.073892 0.863631 0.967714 Os\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Os"
],
"chemical_system": "O-Os",
"density": 8.330707407752689,
"density_atomic": 0.0803201651142976,
"volume": 186.75260413937926,
"volume_molar": 7.497669796159337,
"formula_full": "Os4 O11",
"formula_reduced": "Os4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.966516360977753,
"spacegroup": 1
},
{
"id": "oqmd-825084",
"created_at": "2022-09-04T15:22:44.785456Z",
"updated_at": "2022-09-04T15:22:44.785482Z",
"structure_string": "Rh4 O11\n1.0\n-5.145217 -8.952236 -0.141744\n-2.586957 4.486298 0.201918\n1.857094 -0.124559 -4.239261\nO Rh\n11 4\ndirect\n0.966172 0.554440 0.162253 O\n0.484367 0.636604 0.190589 O\n0.130967 0.233639 0.196016 O\n0.278088 0.845291 0.206664 O\n0.789180 0.988691 0.236759 O\n0.621097 0.316319 0.256354 O\n0.391830 0.687119 0.707631 O\n0.896005 0.760121 0.711543 O\n0.045394 0.368975 0.723239 O\n0.691581 0.985847 0.728074 O\n0.206695 0.052939 0.745715 O\n0.598880 0.962284 0.044127 Rh\n0.267309 0.484335 0.949844 Rh\n0.088966 0.801543 0.959499 Rh\n0.907500 0.115644 0.966312 Rh\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Rh"
],
"chemical_system": "O-Rh",
"density": 5.0379672202067685,
"density_atomic": 0.07744695192170518,
"volume": 193.68096003525375,
"volume_molar": 7.775826692428217,
"formula_full": "Rh4 O11",
"formula_reduced": "Rh4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.569475803644421,
"spacegroup": 1
},
{
"id": "oqmd-825051",
"created_at": "2022-09-04T15:22:44.788550Z",
"updated_at": "2022-09-04T15:22:44.788574Z",
"structure_string": "Tc4 O12\n1.0\n-2.387485 -4.313506 0.006575\n-2.568435 4.416353 -0.028436\n3.316874 -0.037612 -9.250821\nO Tc\n12 4\ndirect\n0.560314 0.859518 0.123785 O\n0.970940 0.564454 0.128524 O\n0.282040 0.233296 0.141830 O\n0.394405 0.051885 0.364614 O\n0.706408 0.781846 0.383198 O\n0.072182 0.483767 0.391883 O\n0.185629 0.212938 0.597115 O\n0.923078 0.588794 0.613100 O\n0.590882 0.977877 0.653373 O\n0.102544 0.447233 0.859407 O\n0.421958 0.086721 0.895423 O\n0.784478 0.749190 0.896952 O\n0.332306 0.590022 0.216773 Tc\n0.791972 0.191239 0.506811 Tc\n0.226349 0.887361 0.522273 Tc\n0.151475 0.786915 0.954940 Tc\n",
"nsites": 16,
"nelements": 2,
"elements": [
"O",
"Tc"
],
"chemical_system": "O-Tc",
"density": 4.840397710475599,
"density_atomic": 0.07986278284784128,
"volume": 200.34363228343835,
"volume_molar": 7.540609712378412,
"formula_full": "Tc4 O12",
"formula_reduced": "TcO3",
"formula_anonymous": "AB3",
"formation_energy": -1.43927056378407,
"spacegroup": 1
},
{
"id": "oqmd-825037",
"created_at": "2022-09-04T15:22:44.792225Z",
"updated_at": "2022-09-04T15:22:44.792256Z",
"structure_string": "Pd4 O12\n1.0\n-2.552198 -4.679599 0.557982\n-2.638055 4.723098 0.537268\n5.319715 -0.023773 -8.582482\nO Pd\n12 4\ndirect\n0.947936 0.707014 0.125103 O\n0.429768 0.361877 0.142619 O\n0.726510 0.066083 0.179628 O\n0.201907 0.968628 0.313881 O\n0.573669 0.526531 0.324580 O\n0.966375 0.332475 0.369591 O\n0.438133 0.411614 0.658246 O\n0.721308 0.066018 0.664763 O\n0.078636 0.734362 0.683011 O\n0.632122 0.600407 0.837349 O\n0.972277 0.307767 0.850480 O\n0.367238 0.944607 0.858256 O\n0.211788 0.564140 0.212317 Pd\n0.174671 0.870467 0.511867 Pd\n0.869457 0.209730 0.524415 Pd\n0.174924 0.831594 0.993893 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"O",
"Pd"
],
"chemical_system": "O-Pd",
"density": 5.635092985368029,
"density_atomic": 0.08790498313100972,
"volume": 182.01470986183233,
"volume_molar": 6.850738769865716,
"formula_full": "Pd4 O12",
"formula_reduced": "PdO3",
"formula_anonymous": "AB3",
"formation_energy": -0.196226919409066,
"spacegroup": 1
},
{
"id": "oqmd-824982",
"created_at": "2022-09-04T15:22:44.823057Z",
"updated_at": "2022-09-04T15:22:44.823081Z",
"structure_string": "Li6 V4 O12\n1.0\n-2.534546 -4.401379 -0.054069\n-2.440807 4.347336 0.044826\n3.361610 -0.073952 -9.386462\nLi O V\n6 12 4\ndirect\n0.330030 0.646337 0.246346 Li\n0.000000 0.003150 0.247084 Li\n0.512954 0.500453 0.506196 Li\n0.392852 0.694817 0.765533 Li\n0.996456 0.033510 0.767323 Li\n0.494241 0.493150 0.990374 Li\n0.907907 0.571429 0.133055 O\n0.574998 0.931201 0.134126 O\n0.293848 0.241145 0.142170 O\n0.031467 0.402327 0.371351 O\n0.769869 0.755579 0.378483 O\n0.417666 0.070449 0.384967 O\n0.218715 0.240933 0.609864 O\n0.948892 0.598939 0.610182 O\n0.584492 0.928320 0.610398 O\n0.369362 0.051860 0.881213 O\n0.776307 0.743223 0.885700 O\n0.108832 0.450891 0.887285 O\n0.670514 0.316116 0.220057 V\n0.164246 0.847495 0.504059 V\n0.826259 0.161353 0.509896 V\n0.129797 0.797580 0.964340 V\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"O",
"V"
],
"chemical_system": "Li-O-V",
"density": 3.553954678498376,
"density_atomic": 0.10764699824771647,
"volume": 204.37169970474946,
"volume_molar": 5.594341559011144,
"formula_full": "Li6 V4 O12",
"formula_reduced": "Li3V2O6",
"formula_anonymous": "A2B3C6",
"formation_energy": -2.36285331098561,
"spacegroup": 1
},
{
"id": "oqmd-825083",
"created_at": "2022-09-04T15:22:44.828363Z",
"updated_at": "2022-09-04T15:22:44.828390Z",
"structure_string": "Rh4 O11\n1.0\n-5.246584 -8.562787 0.134162\n-2.743476 4.343356 0.284028\n2.119475 -0.119273 -4.196342\nO Rh\n11 4\ndirect\n0.303279 0.924576 0.182002 O\n0.124243 0.234042 0.237994 O\n0.816587 0.004560 0.262865 O\n0.011089 0.684572 0.297577 O\n0.629624 0.265099 0.348145 O\n0.146992 0.873348 0.598892 O\n0.400605 0.768684 0.704586 O\n0.885229 0.773601 0.729042 O\n0.000817 0.366741 0.745696 O\n0.684708 0.052025 0.774822 O\n0.517071 0.419378 0.873708 O\n0.923497 0.181751 0.011910 Rh\n0.593958 0.862231 0.039104 Rh\n0.488013 0.059157 0.524134 Rh\n0.088316 0.824026 0.954135 Rh\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Rh"
],
"chemical_system": "O-Rh",
"density": 5.19901567384411,
"density_atomic": 0.07992269487530944,
"volume": 187.68135913587616,
"volume_molar": 7.534957084962388,
"formula_full": "Rh4 O11",
"formula_reduced": "Rh4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.51333133164442,
"spacegroup": 1
}
]
}