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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-elements&page=14",
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"results": [
{
"id": "oqmd-1557811",
"created_at": "2022-09-04T15:55:40.871517Z",
"updated_at": "2022-09-04T15:55:40.871536Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.832295 -1.935784 0.000000\n7.832295 1.935784 0.000000\n-1.703845 0.000000 9.618601\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051722 0.051722 0.264753 Er\n0.948278 0.948278 0.735247 Er\n0.909167 0.909167 0.208562 N\n0.090833 0.090833 0.791438 N\n0.390312 0.390312 0.059083 Nd\n0.609688 0.609688 0.940917 Nd\n0.539901 0.539901 0.145130 O\n0.460099 0.460099 0.854870 O\n0.633391 0.633391 0.463798 S\n0.366609 0.366609 0.536202 S\n0.215610 0.215610 0.159562 Se\n0.784390 0.784390 0.840438 Se\n0.810476 0.810476 0.340671 Tb\n0.189524 0.189524 0.659329 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density": 6.96237636265654,
"density_atomic": 0.04799988510427479,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557698",
"created_at": "2022-09-04T15:55:40.205922Z",
"updated_at": "2022-09-04T15:55:40.205944Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.613039 -1.953706 0.000000\n7.613039 1.953706 0.000000\n-1.695661 0.000000 9.757084\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051602 0.051602 0.248976 Er\n0.948398 0.948398 0.751024 Er\n0.906258 0.906258 0.183883 N\n0.093742 0.093742 0.816117 N\n0.803961 0.803961 0.323798 Nd\n0.196039 0.196039 0.676202 Nd\n0.540079 0.540079 0.135735 O\n0.459921 0.459921 0.864265 O\n0.213727 0.213727 0.145345 S\n0.786273 0.786273 0.854655 S\n0.624643 0.624643 0.462050 Se\n0.375357 0.375357 0.537950 Se\n0.389253 0.389253 0.051963 Tb\n0.610747 0.610747 0.948037 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
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],
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"density": 6.996454747774998,
"density_atomic": 0.04823482767057998,
"volume": 290.2467091955439,
"volume_molar": 12.485046699302512,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557403",
"created_at": "2022-09-04T15:55:47.938633Z",
"updated_at": "2022-09-04T15:55:47.938660Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.574424 -1.961385 0.000000\n7.574424 1.961385 0.000000\n-0.485631 0.000000 9.450540\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.215402 0.215402 0.185044 Er\n0.784598 0.784598 0.814956 Er\n0.112287 0.112287 0.327365 N\n0.887713 0.887713 0.672635 N\n0.972236 0.972236 0.221699 Nd\n0.027764 0.027764 0.778301 Nd\n0.471844 0.471844 0.354438 O\n0.528156 0.528156 0.645562 O\n0.795108 0.795108 0.340152 S\n0.204892 0.204892 0.659848 S\n0.624444 0.624444 0.003789 Se\n0.375556 0.375556 0.996211 Se\n0.615028 0.615028 0.454982 Tb\n0.384972 0.384972 0.545018 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 7.231797414360784,
"density_atomic": 0.049857322687775686,
"volume": 280.80127943638263,
"volume_molar": 12.078748788242784,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.357899484271755,
"spacegroup": 12
},
{
"id": "oqmd-1557406",
"created_at": "2022-09-04T15:55:48.551425Z",
"updated_at": "2022-09-04T15:55:48.551443Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.618532 -1.958328 0.000000\n7.618532 1.958328 0.000000\n-1.545987 0.000000 9.697641\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.609335 0.609335 0.448221 Er\n0.390665 0.390665 0.551779 Er\n0.095182 0.095182 0.321151 N\n0.904818 0.904818 0.678849 N\n0.198661 0.198661 0.180637 Nd\n0.801339 0.801339 0.819363 Nd\n0.460567 0.460567 0.366302 O\n0.539433 0.539433 0.633698 O\n0.786600 0.786600 0.359165 S\n0.213400 0.213400 0.640835 S\n0.374285 0.374285 0.032509 Se\n0.625715 0.625715 0.967491 Se\n0.948959 0.948959 0.248432 Tb\n0.051041 0.051041 0.751568 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
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],
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"density": 7.017662953834119,
"density_atomic": 0.04838104088875154,
"volume": 289.36954936938866,
"volume_molar": 12.447315414001626,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.345901643557469,
"spacegroup": 12
},
{
"id": "oqmd-1557511",
"created_at": "2022-09-04T15:55:49.105984Z",
"updated_at": "2022-09-04T15:55:49.106007Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.781491 -1.937233 0.000000\n7.781491 1.937233 0.000000\n-1.732953 0.000000 9.653516\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.945865 0.945865 0.243994 Er\n0.054135 0.054135 0.756006 Er\n0.089313 0.089313 0.304815 N\n0.910687 0.910687 0.695185 N\n0.188244 0.188244 0.162018 Nd\n0.811756 0.811756 0.837982 Nd\n0.459609 0.459609 0.363025 O\n0.540391 0.540391 0.636975 O\n0.371292 0.371292 0.043311 S\n0.628708 0.628708 0.956689 S\n0.784598 0.784598 0.353733 Se\n0.215402 0.215402 0.646267 Se\n0.606250 0.606250 0.442139 Tb\n0.393750 0.393750 0.557861 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 6.977263739990933,
"density_atomic": 0.04810252138308723,
"volume": 291.04503459401565,
"volume_molar": 12.519386898744512,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3291747364146125,
"spacegroup": 12
},
{
"id": "oqmd-1557513",
"created_at": "2022-09-04T15:55:49.109777Z",
"updated_at": "2022-09-04T15:55:49.109806Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.832476 -1.939530 0.000000\n7.832476 1.939530 0.000000\n-1.570960 0.000000 9.555388\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.807786 0.807786 0.337560 Er\n0.192214 0.192214 0.662440 Er\n0.906488 0.906488 0.208142 N\n0.093512 0.093512 0.791858 N\n0.389905 0.389905 0.058756 Nd\n0.610095 0.610095 0.941244 Nd\n0.539418 0.539418 0.146521 O\n0.460582 0.460582 0.853479 O\n0.636740 0.636740 0.471382 S\n0.363260 0.363260 0.528618 S\n0.215380 0.215380 0.160015 Se\n0.784620 0.784620 0.839985 Se\n0.050769 0.050769 0.270877 Tb\n0.949231 0.949231 0.729123 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 6.994737768787105,
"density_atomic": 0.04822299050610445,
"volume": 290.3179552547196,
"volume_molar": 12.488111369280736,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.323765334986041,
"spacegroup": 12
},
{
"id": "oqmd-1557676",
"created_at": "2022-09-04T15:55:39.482021Z",
"updated_at": "2022-09-04T15:55:39.482046Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.650703 -1.951099 0.000000\n7.650703 1.951099 0.000000\n-1.642613 0.000000 9.706639\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049491 0.049491 0.257586 Er\n0.950509 0.950509 0.742414 Er\n0.904269 0.904269 0.196259 N\n0.095731 0.095731 0.803741 N\n0.385547 0.385547 0.052647 Nd\n0.614453 0.614453 0.947353 Nd\n0.539481 0.539481 0.143271 O\n0.460519 0.460519 0.856729 O\n0.214235 0.214235 0.159311 S\n0.785765 0.785765 0.840689 S\n0.629157 0.629157 0.468003 Se\n0.370843 0.370843 0.531997 Se\n0.803167 0.803167 0.327232 Tb\n0.196833 0.196833 0.672768 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
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],
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"density": 7.007543637517932,
"density_atomic": 0.04831127648717221,
"volume": 289.7874164785799,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"formation_energy": -2.343340622128898,
"spacegroup": 12
},
{
"id": "oqmd-1557691",
"created_at": "2022-09-04T15:55:40.187907Z",
"updated_at": "2022-09-04T15:55:40.187933Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.595361 -1.962539 0.000000\n7.595361 1.962539 0.000000\n-0.592238 0.000000 9.469608\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.612490 0.612490 0.454091 Er\n0.387510 0.387510 0.545909 Er\n0.109656 0.109656 0.330777 N\n0.890344 0.890344 0.669223 N\n0.968854 0.968854 0.224726 Nd\n0.031146 0.031146 0.775274 Nd\n0.470888 0.470888 0.357240 O\n0.529112 0.529112 0.642760 O\n0.793785 0.793785 0.347013 S\n0.206215 0.206215 0.652987 S\n0.622997 0.622997 0.002100 Se\n0.377003 0.377003 0.997900 Se\n0.213925 0.213925 0.187582 Tb\n0.786075 0.786075 0.812418 Tb\n",
"nsites": 14,
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"elements": [
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"O",
"S",
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],
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"density": 7.193108655784088,
"density_atomic": 0.04959059537086863,
"volume": 282.3115934644359,
"volume_molar": 12.143715385876634,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557540",
"created_at": "2022-09-04T15:55:49.589374Z",
"updated_at": "2022-09-04T15:55:49.589392Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.810283 -1.952282 0.000000\n7.810283 1.952282 0.000000\n-1.188475 0.000000 9.467680\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.801690 0.801690 0.328637 Er\n0.198310 0.198310 0.671363 Er\n0.901605 0.901605 0.194250 N\n0.098395 0.098395 0.805750 N\n0.047772 0.047772 0.275859 Nd\n0.952228 0.952228 0.724141 Nd\n0.536487 0.536487 0.140467 O\n0.463513 0.463513 0.859533 O\n0.637684 0.637684 0.482776 S\n0.362316 0.362316 0.517224 S\n0.214199 0.214199 0.151230 Se\n0.785801 0.785801 0.848770 Se\n0.392495 0.392495 0.058091 Tb\n0.607505 0.607505 0.941909 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"formation_energy": -2.331078669271755,
"spacegroup": 12
},
{
"id": "oqmd-1557429",
"created_at": "2022-09-04T15:55:46.370468Z",
"updated_at": "2022-09-04T15:55:46.370488Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.764375 -1.944599 0.000000\n7.764375 1.944599 0.000000\n-1.576637 0.000000 9.610028\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.395238 0.395238 0.057416 Er\n0.604762 0.604762 0.942584 Er\n0.908546 0.908546 0.189350 N\n0.091454 0.091454 0.810650 N\n0.808539 0.808539 0.333396 Nd\n0.191461 0.191461 0.666604 Nd\n0.539706 0.539706 0.135288 O\n0.460294 0.460294 0.864712 O\n0.629306 0.629306 0.462389 S\n0.370694 0.370694 0.537611 S\n0.214690 0.214690 0.141712 Se\n0.785310 0.785310 0.858288 Se\n0.052964 0.052964 0.258406 Tb\n0.947036 0.947036 0.741594 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
"S",
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"Tb"
],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 6.99768074167027,
"density_atomic": 0.0482432798947986,
"volume": 290.1958579625807,
"volume_molar": 12.482859318711629,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.327854556414612,
"spacegroup": 12
},
{
"id": "oqmd-1557488",
"created_at": "2022-09-04T15:55:49.897831Z",
"updated_at": "2022-09-04T15:55:49.897860Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.662688 -1.954623 0.000000\n7.662688 1.954623 0.000000\n-1.501842 0.000000 9.644789\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199837 0.199837 0.175866 Er\n0.800163 0.800163 0.824134 Er\n0.098408 0.098408 0.303952 N\n0.901592 0.901592 0.696048 N\n0.614891 0.614891 0.447698 Nd\n0.385109 0.385109 0.552302 Nd\n0.461667 0.461667 0.355523 O\n0.538333 0.538333 0.644477 O\n0.785951 0.785951 0.339474 S\n0.214049 0.214049 0.660526 S\n0.367638 0.367638 0.024488 Se\n0.632362 0.632362 0.975512 Se\n0.952087 0.952087 0.235931 Tb\n0.047913 0.047913 0.764069 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
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],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 7.028755877142102,
"density_atomic": 0.04845751751347261,
"volume": 288.9128605506378,
"volume_molar": 12.427670811501372,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.345404314986041,
"spacegroup": 12
},
{
"id": "oqmd-1557664",
"created_at": "2022-09-04T15:55:40.338430Z",
"updated_at": "2022-09-04T15:55:40.338454Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.794851 -1.954256 0.000000\n7.794851 1.954256 0.000000\n-1.177423 0.000000 9.481692\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605464 0.605464 0.442029 Er\n0.394536 0.394536 0.557971 Er\n0.097286 0.097286 0.311584 N\n0.902714 0.902714 0.688416 N\n0.951446 0.951446 0.227363 Nd\n0.048554 0.048554 0.772637 Nd\n0.463288 0.463288 0.362914 O\n0.536712 0.536712 0.637086 O\n0.364983 0.364983 0.019310 S\n0.635017 0.635017 0.980690 S\n0.785775 0.785775 0.353852 Se\n0.214225 0.214225 0.646148 Se\n0.197962 0.197962 0.172662 Tb\n0.802038 0.802038 0.827338 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
"S",
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],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 7.0297555377588266,
"density_atomic": 0.0484644093550288,
"volume": 288.8717759344223,
"volume_molar": 12.425903544773371,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.32935413855747,
"spacegroup": 12
}
]
}