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=-updated_at&page=93",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-updated_at&page=91",
"results": [
{
"id": "oqmd-1759030",
"created_at": "2022-09-04T16:03:14.413253Z",
"updated_at": "2022-09-04T16:03:14.413268Z",
"structure_string": "Ba4 Sm2 Ir2 O12\n1.0\n5.998902 0.000000 0.000000\n0.000000 5.984345 0.000000\n-5.994561 0.000000 8.480368\nBa Ir O Sm\n4 2 12 2\ndirect\n0.749493 0.496814 0.249426 Ba\n0.250507 0.996814 0.250574 Ba\n0.749493 0.003186 0.749426 Ba\n0.250507 0.503186 0.750574 Ba\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.264644 0.219761 0.010564 O\n0.291898 0.753361 0.011020 O\n0.754423 0.001540 0.232929 O\n0.245577 0.501540 0.267071 O\n0.708102 0.253361 0.488980 O\n0.735356 0.719761 0.489436 O\n0.264644 0.280239 0.510564 O\n0.291898 0.746639 0.511020 O\n0.754423 0.498460 0.732929 O\n0.245577 0.998460 0.767071 O\n0.708102 0.246639 0.988980 O\n0.735356 0.780239 0.989436 O\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ir",
"O",
"Sm"
],
"chemical_system": "Ba-Ir-O-Sm",
"density": 7.780437592654491,
"density_atomic": 0.06569418165027442,
"volume": 304.44096414003286,
"volume_molar": 9.166931695806952,
"formula_full": "Ba4 Sm2 Ir2 O12",
"formula_reduced": "Ba2SmIrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.558857947777253,
"spacegroup": 14
},
{
"id": "oqmd-1759056",
"created_at": "2022-09-04T16:03:14.411696Z",
"updated_at": "2022-09-04T16:03:14.411741Z",
"structure_string": "Ho4 Ti2 Mn2 O12\n1.0\n5.308109 0.000000 0.000000\n0.000000 5.671640 0.000000\n-5.232153 0.000000 7.718508\nHo Mn O Ti\n4 2 12 2\ndirect\n0.725699 0.570480 0.246906 Ho\n0.274301 0.070480 0.253094 Ho\n0.725699 0.929520 0.746906 Ho\n0.274301 0.429520 0.753094 Ho\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.360483 0.318892 0.059258 O\n0.246049 0.794909 0.070685 O\n0.109882 0.446361 0.238492 O\n0.890118 0.946361 0.261508 O\n0.753951 0.294909 0.429315 O\n0.639517 0.818892 0.440742 O\n0.360483 0.181108 0.559258 O\n0.246049 0.705091 0.570685 O\n0.109882 0.053639 0.738492 O\n0.890118 0.553639 0.761508 O\n0.753951 0.205091 0.929315 O\n0.639517 0.681108 0.940742 O\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"Mn",
"O",
"Ti"
],
"chemical_system": "Ho-Mn-O-Ti",
"density": 7.55571224708691,
"density_atomic": 0.08606927563140385,
"volume": 232.3709576185007,
"volume_molar": 6.996853076573029,
"formula_full": "Ho4 Ti2 Mn2 O12",
"formula_reduced": "Ho2TiMnO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.3535929582937323,
"spacegroup": 14
},
{
"id": "oqmd-1758975",
"created_at": "2022-09-04T16:03:14.407916Z",
"updated_at": "2022-09-04T16:03:14.407944Z",
"structure_string": "Li2 Pr4 Sb2 O12\n1.0\n5.552137 0.000000 0.000000\n0.000000 5.735137 0.000000\n-5.466165 0.000000 7.905220\nLi O Pr Sb\n2 12 4 2\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.836900 0.196359 0.048920 O\n0.746798 0.714331 0.053484 O\n0.644587 0.029861 0.242598 O\n0.355413 0.529861 0.257402 O\n0.253202 0.214331 0.446516 O\n0.163100 0.696359 0.451080 O\n0.836900 0.303641 0.548920 O\n0.746798 0.785669 0.553484 O\n0.644587 0.470139 0.742598 O\n0.355413 0.970139 0.757402 O\n0.253202 0.285669 0.946516 O\n0.163100 0.803641 0.951080 O\n0.232649 0.944088 0.248686 Pr\n0.767351 0.444088 0.251314 Pr\n0.232649 0.555912 0.748686 Pr\n0.767351 0.055912 0.751314 Pr\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"O",
"Pr",
"Sb"
],
"chemical_system": "Li-O-Pr-Sb",
"density": 6.682692855418839,
"density_atomic": 0.07945332277963828,
"volume": 251.72012069865826,
"volume_molar": 7.579469994857548,
"formula_full": "Li2 Pr4 Sb2 O12",
"formula_reduced": "LiPr2SbO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.8326455010272524,
"spacegroup": 14
},
{
"id": "oqmd-1758793",
"created_at": "2022-09-04T16:03:14.403953Z",
"updated_at": "2022-09-04T16:03:14.403984Z",
"structure_string": "Yb4 Pr4 S12\n1.0\n7.701604 0.000000 0.000000\n0.000000 8.960138 0.000000\n0.000000 0.000000 7.111473\nPr S Yb\n4 12 4\ndirect\n0.905147 0.250000 0.024458 Pr\n0.405147 0.250000 0.475542 Pr\n0.594853 0.750000 0.524458 Pr\n0.094853 0.750000 0.975542 Pr\n0.192282 0.083033 0.185536 S\n0.192282 0.416967 0.185536 S\n0.400757 0.750000 0.191219 S\n0.900757 0.750000 0.308781 S\n0.692282 0.083033 0.314464 S\n0.692282 0.416967 0.314464 S\n0.307718 0.583033 0.685536 S\n0.307718 0.916967 0.685536 S\n0.099243 0.250000 0.691219 S\n0.599243 0.250000 0.808781 S\n0.807718 0.583033 0.814464 S\n0.807718 0.916967 0.814464 S\n0.500000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"S",
"Yb"
],
"chemical_system": "Pr-S-Yb",
"density": 5.551221717658363,
"density_atomic": 0.04075440408996774,
"volume": 490.74450839346895,
"volume_molar": 14.776662533712356,
"formula_full": "Yb4 Pr4 S12",
"formula_reduced": "YbPrS3",
"formula_anonymous": "ABC3",
"formation_energy": -1.852085519408014,
"spacegroup": 62
},
{
"id": "oqmd-1758680",
"created_at": "2022-09-04T16:03:14.402104Z",
"updated_at": "2022-09-04T16:03:14.402113Z",
"structure_string": "Cs4 Nd4 I12\n1.0\n8.869428 0.000000 0.000000\n0.000000 12.516135 0.000000\n0.000000 0.000000 8.772621\nCs I Nd\n4 12 4\ndirect\n0.468689 0.250000 0.013820 Cs\n0.968689 0.250000 0.486180 Cs\n0.031311 0.750000 0.513820 Cs\n0.531311 0.750000 0.986180 Cs\n0.001173 0.750000 0.024898 I\n0.724781 0.012111 0.224252 I\n0.724781 0.487889 0.224252 I\n0.224781 0.012111 0.275748 I\n0.224781 0.487889 0.275748 I\n0.501173 0.750000 0.475102 I\n0.498827 0.250000 0.524898 I\n0.775219 0.512111 0.724252 I\n0.775219 0.987889 0.724252 I\n0.275219 0.512111 0.775748 I\n0.275219 0.987889 0.775748 I\n0.998827 0.250000 0.975102 I\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cs",
"I",
"Nd"
],
"chemical_system": "Cs-I-Nd",
"density": 4.486915801998685,
"density_atomic": 0.020536894738806925,
"volume": 973.8570633177371,
"volume_molar": 29.323521577098234,
"formula_full": "Cs4 Nd4 I12",
"formula_reduced": "CsNdI3",
"formula_anonymous": "ABC3",
"formation_energy": -1.4290665769569906,
"spacegroup": 62
},
{
"id": "oqmd-1758977",
"created_at": "2022-09-04T16:03:14.401188Z",
"updated_at": "2022-09-04T16:03:14.401206Z",
"structure_string": "Li2 Eu4 Sb2 O12\n1.0\n5.535195 0.000000 0.000000\n0.000000 5.666258 0.000000\n-5.352075 0.000000 7.793733\nEu Li O Sb\n4 2 12 2\ndirect\n0.731067 0.550586 0.247287 Eu\n0.268933 0.050586 0.252713 Eu\n0.731067 0.949414 0.747287 Eu\n0.268933 0.449414 0.752713 Eu\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.324434 0.295050 0.040141 O\n0.247353 0.780072 0.045319 O\n0.163122 0.477255 0.247328 O\n0.836878 0.977255 0.252672 O\n0.752647 0.280072 0.454681 O\n0.675566 0.795050 0.459859 O\n0.324434 0.204950 0.540141 O\n0.247353 0.719928 0.545319 O\n0.163122 0.022745 0.747328 O\n0.836878 0.522745 0.752672 O\n0.752647 0.219928 0.954681 O\n0.675566 0.704950 0.959859 O\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Eu",
"Li",
"O",
"Sb"
],
"chemical_system": "Eu-Li-O-Sb",
"density": 7.182114521886845,
"density_atomic": 0.08181919487824374,
"volume": 244.44141780864837,
"volume_molar": 7.360303128088256,
"formula_full": "Li2 Eu4 Sb2 O12",
"formula_reduced": "LiEu2SbO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.332461360027252,
"spacegroup": 14
},
{
"id": "oqmd-1758675",
"created_at": "2022-09-04T16:03:14.399727Z",
"updated_at": "2022-09-04T16:03:14.399737Z",
"structure_string": "Fe8 O12\n1.0\n5.251973 0.000000 0.000000\n0.000000 7.517477 0.000000\n0.000000 0.000000 5.008137\nFe O\n8 12\ndirect\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.057688 0.750000 0.015796 Fe\n0.557688 0.750000 0.484204 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.442312 0.250000 0.515796 Fe\n0.942312 0.250000 0.984204 Fe\n0.584831 0.250000 0.150298 O\n0.819876 0.577694 0.175404 O\n0.819876 0.922306 0.175404 O\n0.319876 0.577694 0.324596 O\n0.319876 0.922306 0.324596 O\n0.084831 0.250000 0.349702 O\n0.915169 0.750000 0.650298 O\n0.680124 0.077694 0.675404 O\n0.680124 0.422306 0.675404 O\n0.180124 0.077694 0.824596 O\n0.180124 0.422306 0.824596 O\n0.415169 0.750000 0.849702 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.364276074418585,
"density_atomic": 0.10114844304968268,
"volume": 197.72919282777573,
"volume_molar": 5.953765157850238,
"formula_full": "Fe8 O12",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"formation_energy": -1.5484762258929483,
"spacegroup": 62
},
{
"id": "oqmd-1759013",
"created_at": "2022-09-04T16:03:14.395964Z",
"updated_at": "2022-09-04T16:03:14.395999Z",
"structure_string": "K2 Rb4 Al2 F12\n1.0\n6.023923 0.000000 0.000000\n0.000000 5.990160 0.000000\n-6.023019 0.000000 8.499795\nAl F K Rb\n2 12 2 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.810524 0.227385 0.009583 F\n0.787508 0.799813 0.013253 F\n0.236084 0.002516 0.213140 F\n0.763916 0.502516 0.286860 F\n0.212492 0.299813 0.486747 F\n0.189476 0.727385 0.490417 F\n0.810524 0.272615 0.509583 F\n0.787508 0.700187 0.513253 F\n0.236084 0.497484 0.713140 F\n0.763916 0.997484 0.786860 F\n0.212492 0.200187 0.986747 F\n0.189476 0.772615 0.990417 F\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.249983 0.503259 0.249799 Rb\n0.750017 0.003259 0.250201 Rb\n0.249983 0.996741 0.749799 Rb\n0.750017 0.496741 0.750201 Rb\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Al",
"F",
"K",
"Rb"
],
"chemical_system": "Al-F-K-Rb",
"density": 3.8007313343299334,
"density_atomic": 0.06520842483269598,
"volume": 306.7088348064475,
"volume_molar": 9.23521887770007,
"formula_full": "K2 Rb4 Al2 F12",
"formula_reduced": "KRb2AlF6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.397839034478664,
"spacegroup": 14
},
{
"id": "oqmd-1759044",
"created_at": "2022-09-04T16:03:14.394673Z",
"updated_at": "2022-09-04T16:03:14.394698Z",
"structure_string": "Na4 Sn2 Mo2 O12\n1.0\n5.414795 0.000000 0.000000\n0.000000 5.510694 0.000000\n-5.408039 0.000000 7.733080\nMo Na O Sn\n2 4 12 2\ndirect\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.258749 0.039671 0.249344 Na\n0.741251 0.539671 0.250656 Na\n0.258749 0.460329 0.749344 Na\n0.741251 0.960329 0.750656 Na\n0.255322 0.802653 0.042718 O\n0.351162 0.286053 0.045242 O\n0.826928 0.979357 0.241274 O\n0.173072 0.479357 0.258726 O\n0.648838 0.786053 0.454758 O\n0.744678 0.302653 0.457282 O\n0.255322 0.697347 0.542718 O\n0.351162 0.213947 0.545242 O\n0.826928 0.520643 0.741274 O\n0.173072 0.020643 0.758726 O\n0.648838 0.713947 0.954758 O\n0.744678 0.197347 0.957282 O\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mo",
"Na",
"O",
"Sn"
],
"chemical_system": "Mo-Na-O-Sn",
"density": 5.132762891862358,
"density_atomic": 0.08667406739395443,
"volume": 230.7495263732715,
"volume_molar": 6.948030640615867,
"formula_full": "Na4 Sn2 Mo2 O12",
"formula_reduced": "Na2SnMoO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.0767234113827016,
"spacegroup": 14
},
{
"id": "oqmd-1758783",
"created_at": "2022-09-04T16:03:14.394666Z",
"updated_at": "2022-09-04T16:03:14.394694Z",
"structure_string": "Al8 O12\n1.0\n4.889237 0.000000 0.000000\n0.000000 7.247869 0.000000\n0.000000 0.000000 4.740285\nAl O\n8 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.546070 0.250000 0.009504 Al\n0.046070 0.250000 0.490496 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.953930 0.750000 0.509504 Al\n0.453930 0.750000 0.990496 Al\n0.091466 0.750000 0.142519 O\n0.321324 0.075941 0.173034 O\n0.321324 0.424059 0.173034 O\n0.821324 0.075941 0.326966 O\n0.821324 0.424059 0.326966 O\n0.591466 0.750000 0.357481 O\n0.408534 0.250000 0.642519 O\n0.178676 0.575941 0.673034 O\n0.178676 0.924059 0.673034 O\n0.678676 0.575941 0.826966 O\n0.678676 0.924059 0.826966 O\n0.908534 0.250000 0.857481 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 4.031702494248113,
"density_atomic": 0.1190622587218616,
"volume": 167.97934303196368,
"volume_molar": 5.057976242554052,
"formula_full": "Al8 O12",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"formation_energy": -3.103111396027253,
"spacegroup": 62
},
{
"id": "oqmd-1758966",
"created_at": "2022-09-04T16:03:14.388901Z",
"updated_at": "2022-09-04T16:03:14.388932Z",
"structure_string": "Nd2 Eu4 Bi2 O12\n1.0\n5.831412 0.000000 0.000000\n0.000000 6.062731 0.000000\n-5.791805 0.000000 8.390508\nBi Eu Nd O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.766474 0.056023 0.249514 Eu\n0.233526 0.556023 0.250486 Eu\n0.766474 0.443977 0.749514 Eu\n0.233526 0.943977 0.750486 Eu\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.767518 0.814531 0.061146 O\n0.889715 0.292065 0.067514 O\n0.357981 0.946798 0.235618 O\n0.642019 0.446798 0.264382 O\n0.110285 0.792065 0.432486 O\n0.232482 0.314531 0.438854 O\n0.767518 0.685469 0.561146 O\n0.889715 0.207935 0.567514 O\n0.357981 0.553202 0.735618 O\n0.642019 0.053202 0.764382 O\n0.110285 0.707935 0.932486 O\n0.232482 0.185469 0.938854 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Bi",
"Eu",
"Nd",
"O"
],
"chemical_system": "Bi-Eu-Nd-O",
"density": 8.431958240796146,
"density_atomic": 0.06742170241719717,
"volume": 296.64038852419463,
"volume_molar": 8.932050873968942,
"formula_full": "Nd2 Eu4 Bi2 O12",
"formula_reduced": "NdEu2BiO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.798116082027253,
"spacegroup": 14
},
{
"id": "oqmd-1759051",
"created_at": "2022-09-04T16:03:14.386210Z",
"updated_at": "2022-09-04T16:03:14.386246Z",
"structure_string": "Sm4 Ti2 Cr2 O12\n1.0\n5.402893 0.000000 0.000000\n0.000000 5.794584 0.000000\n-5.365972 0.000000 7.666460\nCr O Sm Ti\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.349558 0.322903 0.053653 O\n0.238100 0.795791 0.055124 O\n0.139395 0.463324 0.246842 O\n0.860605 0.963324 0.253158 O\n0.761900 0.295791 0.444876 O\n0.650442 0.822903 0.446347 O\n0.349558 0.177097 0.553653 O\n0.238100 0.704209 0.555124 O\n0.139395 0.036676 0.746842 O\n0.860605 0.536676 0.753158 O\n0.761900 0.204209 0.944876 O\n0.650442 0.677097 0.946347 O\n0.731951 0.570526 0.249737 Sm\n0.268049 0.070526 0.250263 Sm\n0.731951 0.929474 0.749737 Sm\n0.268049 0.429474 0.750263 Sm\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"O",
"Sm",
"Ti"
],
"chemical_system": "Cr-O-Sm-Ti",
"density": 6.871070051372792,
"density_atomic": 0.08332714305662421,
"volume": 240.01782932134347,
"volume_molar": 7.227105765413929,
"formula_full": "Sm4 Ti2 Cr2 O12",
"formula_reduced": "Sm2TiCrO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.309368940831805,
"spacegroup": 14
}
]
}