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{
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"results": [
{
"id": "oqmd-1557787",
"created_at": "2022-09-04T15:55:39.958270Z",
"updated_at": "2022-09-04T15:55:39.958289Z",
"structure_string": "Nd2 Dy2 Er2 S4 N2 O2\n1.0\n7.584682 -1.925073 0.000000\n7.584682 1.925073 0.000000\n-1.825283 0.000000 9.579894\nDy Er N Nd O S\n2 2 2 2 2 4\ndirect\n0.390082 0.390082 0.053722 Dy\n0.609918 0.609918 0.946278 Dy\n0.055330 0.055330 0.253990 Er\n0.944670 0.944670 0.746010 Er\n0.908505 0.908505 0.189770 N\n0.091495 0.091495 0.810230 N\n0.807597 0.807597 0.331919 Nd\n0.192403 0.192403 0.668081 Nd\n0.541505 0.541505 0.136031 O\n0.458495 0.458495 0.863969 O\n0.215146 0.215146 0.146701 S\n0.629606 0.629606 0.458368 S\n0.370394 0.370394 0.541632 S\n0.784854 0.784854 0.853299 S\n",
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},
{
"id": "oqmd-1558314",
"created_at": "2022-09-04T15:55:43.414710Z",
"updated_at": "2022-09-04T15:55:43.414742Z",
"structure_string": "Nd2 Dy2 Ho2 S4 N2 O2\n1.0\n7.605887 -1.939342 0.000000\n7.605887 1.939342 0.000000\n-1.273146 0.000000 9.405367\nDy Ho N Nd O S\n2 2 2 2 2 4\ndirect\n0.202993 0.202993 0.177760 Dy\n0.797007 0.797007 0.822240 Dy\n0.610864 0.610864 0.446749 Ho\n0.389136 0.389136 0.553251 Ho\n0.100834 0.100834 0.313459 N\n0.899166 0.899166 0.686541 N\n0.951664 0.951664 0.226173 Nd\n0.048336 0.048336 0.773827 Nd\n0.462922 0.462922 0.361480 O\n0.537078 0.537078 0.638520 O\n0.364233 0.364233 0.015651 S\n0.786562 0.786562 0.349889 S\n0.213438 0.213438 0.650111 S\n0.635767 0.635767 0.984349 S\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.0504566045623346,
"volume": 277.46615376594076,
"volume_molar": 11.93528738653071,
"formula_full": "Nd2 Dy2 Ho2 S4 N2 O2",
"formula_reduced": "NdDyHoS2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557766",
"created_at": "2022-09-04T15:55:39.849595Z",
"updated_at": "2022-09-04T15:55:39.849626Z",
"structure_string": "Y4 Er2 Se2 S2 N2 O2\n1.0\n7.565750 -1.932669 0.000000\n7.565750 1.932669 0.000000\n-1.362496 0.000000 9.483843\nEr N O S Se Y\n2 2 2 2 2 4\ndirect\n0.798117 0.798117 0.319159 Er\n0.201883 0.201883 0.680841 Er\n0.900592 0.900592 0.187504 N\n0.099408 0.099408 0.812496 N\n0.538132 0.538132 0.139811 O\n0.461868 0.461868 0.860189 O\n0.213197 0.213197 0.152753 S\n0.786803 0.786803 0.847247 S\n0.630507 0.630507 0.477412 Se\n0.369493 0.369493 0.522588 Se\n0.387822 0.387822 0.052895 Y\n0.046802 0.046802 0.261545 Y\n0.953198 0.953198 0.738455 Y\n0.612178 0.612178 0.947105 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-N-O-S-Se-Y",
"density": 5.82079767222368,
"density_atomic": 0.050478241493464124,
"volume": 277.3472210162612,
"volume_molar": 11.930171459676822,
"formula_full": "Y4 Er2 Se2 S2 N2 O2",
"formula_reduced": "Y2ErSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.468922415033659,
"spacegroup": 12
},
{
"id": "oqmd-1557767",
"created_at": "2022-09-04T15:55:39.866579Z",
"updated_at": "2022-09-04T15:55:39.866607Z",
"structure_string": "Gd4 Er2 Se2 S2 N2 O2\n1.0\n7.597491 -1.942901 0.000000\n7.597491 1.942901 0.000000\n-1.288776 0.000000 9.523076\nEr Gd N O S Se\n2 4 2 2 2 2\ndirect\n0.203331 0.203331 0.180170 Er\n0.796669 0.796669 0.819830 Er\n0.954862 0.954862 0.235281 Gd\n0.613304 0.613304 0.448061 Gd\n0.386696 0.386696 0.551939 Gd\n0.045138 0.045138 0.764719 Gd\n0.101023 0.101023 0.312143 N\n0.898977 0.898977 0.687857 N\n0.463635 0.463635 0.358989 O\n0.536365 0.536365 0.641011 O\n0.787635 0.787635 0.345124 S\n0.212365 0.212365 0.654876 S\n0.369042 0.369042 0.019790 Se\n0.630958 0.630958 0.980210 Se\n",
"nsites": 14,
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"elements": [
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"O",
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],
"chemical_system": "Er-Gd-N-O-S-Se",
"density": 7.356863216026919,
"density_atomic": 0.049796626661219645,
"volume": 281.1435420163279,
"volume_molar": 12.093471312766434,
"formula_full": "Gd4 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558254",
"created_at": "2022-09-04T15:55:39.787167Z",
"updated_at": "2022-09-04T15:55:39.787202Z",
"structure_string": "Nd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.826355 -1.955813 0.000000\n7.826355 1.955813 0.000000\n-1.435910 0.000000 9.711478\nEr Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.193776 0.193776 0.168690 Er\n0.806224 0.806224 0.831310 Er\n0.954849 0.954849 0.237724 Ho\n0.045151 0.045151 0.762276 Ho\n0.096157 0.096157 0.300305 N\n0.903843 0.903843 0.699695 N\n0.611569 0.611569 0.444545 Nd\n0.388431 0.388431 0.555455 Nd\n0.462898 0.462898 0.355082 O\n0.537102 0.537102 0.644918 O\n0.369119 0.369119 0.029692 Se\n0.786289 0.786289 0.338936 Se\n0.213711 0.213711 0.661064 Se\n0.630881 0.630881 0.970308 Se\n",
"nsites": 14,
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"elements": [
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"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-Se",
"density": 7.421277730849555,
"density_atomic": 0.04708969065291964,
"volume": 297.3049898158967,
"volume_molar": 12.788660695154975,
"formula_full": "Nd2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "NdHoErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.342731150650798,
"spacegroup": 12
},
{
"id": "oqmd-1558263",
"created_at": "2022-09-04T15:55:39.943993Z",
"updated_at": "2022-09-04T15:55:39.944024Z",
"structure_string": "Gd2 Dy2 Ho2 S4 N2 O2\n1.0\n7.560500 -1.915543 0.000000\n7.560500 1.915543 0.000000\n-1.494244 0.000000 9.370280\nDy Gd Ho N O S\n2 2 2 2 2 4\ndirect\n0.801085 0.801085 0.326398 Dy\n0.198915 0.198915 0.673602 Dy\n0.051843 0.051843 0.266467 Gd\n0.948157 0.948157 0.733533 Gd\n0.389359 0.389359 0.055040 Ho\n0.610641 0.610641 0.944960 Ho\n0.903255 0.903255 0.191424 N\n0.096745 0.096745 0.808576 N\n0.539556 0.539556 0.138618 O\n0.460444 0.460444 0.861382 O\n0.214926 0.214926 0.150247 S\n0.635074 0.635074 0.474530 S\n0.364926 0.364926 0.525470 S\n0.785074 0.785074 0.849753 S\n",
"nsites": 14,
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"elements": [
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"N",
"O",
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],
"chemical_system": "Dy-Gd-Ho-N-O-S",
"density": 7.082636423774858,
"density_atomic": 0.05158257856166302,
"volume": 271.40946401630686,
"volume_molar": 11.67475711358825,
"formula_full": "Gd2 Dy2 Ho2 S4 N2 O2",
"formula_reduced": "GdDyHoS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.56289562739271,
"spacegroup": 12
},
{
"id": "oqmd-1557713",
"created_at": "2022-09-04T15:55:39.872167Z",
"updated_at": "2022-09-04T15:55:39.872194Z",
"structure_string": "Tb2 Ho2 Er2 S4 N2 O2\n1.0\n7.519202 -1.898731 0.000000\n7.519202 1.898731 0.000000\n-1.620867 0.000000 9.347238\nEr Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.946836 0.946836 0.238317 Er\n0.053164 0.053164 0.761683 Er\n0.610254 0.610254 0.444143 Ho\n0.389746 0.389746 0.555857 Ho\n0.094382 0.094382 0.305735 N\n0.905618 0.905618 0.694265 N\n0.459507 0.459507 0.361125 O\n0.540493 0.540493 0.638875 O\n0.366833 0.366833 0.032638 S\n0.785495 0.785495 0.350374 S\n0.214505 0.214505 0.649626 S\n0.633167 0.633167 0.967362 S\n0.196867 0.196867 0.170831 Tb\n0.803133 0.803133 0.829169 Tb\n",
"nsites": 14,
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"elements": [
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"N",
"O",
"S",
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],
"chemical_system": "Er-Ho-N-O-S-Tb",
"density": 7.282367594924087,
"density_atomic": 0.0524541128181612,
"volume": 266.8999483135434,
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"formula_full": "Tb2 Ho2 Er2 S4 N2 O2",
"formula_reduced": "TbHoErS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.478448125321282,
"spacegroup": 12
},
{
"id": "oqmd-1557741",
"created_at": "2022-09-04T15:55:40.199141Z",
"updated_at": "2022-09-04T15:55:40.199158Z",
"structure_string": "Tb4 Er2 Se2 S2 N2 O2\n1.0\n7.738709 -1.917015 0.000000\n7.738709 1.917015 0.000000\n-1.589328 0.000000 9.480652\nEr N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.948089 0.948089 0.237687 Er\n0.051911 0.051911 0.762313 Er\n0.091766 0.091766 0.300123 N\n0.908234 0.908234 0.699877 N\n0.460142 0.460142 0.359556 O\n0.539858 0.539858 0.640444 O\n0.367291 0.367291 0.034764 S\n0.632709 0.632709 0.965236 S\n0.784944 0.784944 0.348903 Se\n0.215056 0.215056 0.651097 Se\n0.191134 0.191134 0.164001 Tb\n0.607060 0.607060 0.440444 Tb\n0.392940 0.392940 0.559556 Tb\n0.808866 0.808866 0.835999 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Er-N-O-S-Se-Tb",
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"density_atomic": 0.04976978988696611,
"volume": 281.29513971820825,
"volume_molar": 12.099992332049405,
"formula_full": "Tb4 Er2 Se2 S2 N2 O2",
"formula_reduced": "Tb2ErSeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557110",
"created_at": "2022-09-04T15:55:47.556582Z",
"updated_at": "2022-09-04T15:55:47.556609Z",
"structure_string": "Nd4 Y2 Se2 S2 N2 O2\n1.0\n7.730265 -1.986967 0.000000\n7.730265 1.986967 0.000000\n-1.700428 0.000000 9.879574\nN Nd O S Se Y\n2 4 2 2 2 2\ndirect\n0.095115 0.095115 0.309523 N\n0.904885 0.904885 0.690477 N\n0.196799 0.196799 0.173261 Nd\n0.613396 0.613396 0.448628 Nd\n0.386604 0.386604 0.551372 Nd\n0.803201 0.803201 0.826739 Nd\n0.460554 0.460554 0.359830 O\n0.539446 0.539446 0.640170 O\n0.786428 0.786428 0.347126 S\n0.213572 0.213572 0.652874 S\n0.374025 0.374025 0.035266 Se\n0.625975 0.625975 0.964734 Se\n0.949819 0.949819 0.246119 Y\n0.050181 0.050181 0.753881 Y\n",
"nsites": 14,
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"elements": [
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"Y"
],
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"volume": 303.49619504179805,
"volume_molar": 13.0549771904723,
"formula_full": "Nd4 Y2 Se2 S2 N2 O2",
"formula_reduced": "Nd2YSeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558508",
"created_at": "2022-09-04T15:55:43.188085Z",
"updated_at": "2022-09-04T15:55:43.188113Z",
"structure_string": "Tb2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.774869 -1.958009 0.000000\n7.774869 1.958009 0.000000\n-1.223258 0.000000 9.633516\nDy Gd N O Se Tb\n2 2 2 2 4 2\ndirect\n0.802758 0.802758 0.325176 Dy\n0.197242 0.197242 0.674824 Dy\n0.044570 0.044570 0.262236 Gd\n0.955430 0.955430 0.737764 Gd\n0.902036 0.902036 0.188337 N\n0.097964 0.097964 0.811663 N\n0.535893 0.535893 0.139115 O\n0.464107 0.464107 0.860885 O\n0.213001 0.213001 0.150739 Se\n0.629249 0.629249 0.475286 Se\n0.370751 0.370751 0.524714 Se\n0.786999 0.786999 0.849261 Se\n0.391466 0.391466 0.055140 Tb\n0.608534 0.608534 0.944860 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Tb"
],
"chemical_system": "Dy-Gd-N-O-Se-Tb",
"density": 7.547841374925756,
"density_atomic": 0.047731540708115736,
"volume": 293.30710453307444,
"volume_molar": 12.616690495758633,
"formula_full": "Tb2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "TbGdDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.282788533579371,
"spacegroup": 12
},
{
"id": "oqmd-1558502",
"created_at": "2022-09-04T15:55:43.828445Z",
"updated_at": "2022-09-04T15:55:43.828473Z",
"structure_string": "Tb2 Gd4 Se2 S2 N2 O2\n1.0\n7.633942 -1.953403 0.000000\n7.633942 1.953403 0.000000\n-1.406589 0.000000 9.628108\nGd N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.201066 0.201066 0.178613 Gd\n0.612282 0.612282 0.448083 Gd\n0.387718 0.387718 0.551917 Gd\n0.798934 0.798934 0.821387 Gd\n0.098589 0.098589 0.313884 N\n0.901411 0.901411 0.686116 N\n0.462567 0.462567 0.360675 O\n0.537433 0.537433 0.639325 O\n0.787317 0.787317 0.348067 S\n0.212683 0.212683 0.651933 S\n0.371865 0.371865 0.025758 Se\n0.628135 0.628135 0.974242 Se\n0.953016 0.953016 0.240880 Tb\n0.046984 0.046984 0.759120 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.10654557114541,
"density_atomic": 0.04875468787593863,
"volume": 287.1518742079624,
"volume_molar": 12.351921471272592,
"formula_full": "Tb2 Gd4 Se2 S2 N2 O2",
"formula_reduced": "TbGd2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.373233109986041,
"spacegroup": 12
},
{
"id": "oqmd-1557855",
"created_at": "2022-09-04T15:55:40.460800Z",
"updated_at": "2022-09-04T15:55:40.460828Z",
"structure_string": "Tb2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.732493 -1.946539 0.000000\n7.732493 1.946539 0.000000\n-1.233808 0.000000 9.588561\nDy Ho N O Se Tb\n2 2 2 2 4 2\ndirect\n0.955248 0.955248 0.240946 Dy\n0.044752 0.044752 0.759054 Dy\n0.607377 0.607377 0.444613 Ho\n0.392623 0.392623 0.555387 Ho\n0.096983 0.096983 0.313503 N\n0.903017 0.903017 0.686497 N\n0.463852 0.463852 0.361757 O\n0.536148 0.536148 0.638243 O\n0.372525 0.372525 0.027827 Se\n0.787749 0.787749 0.351891 Se\n0.212251 0.212251 0.648109 Se\n0.627475 0.627475 0.972173 Se\n0.197079 0.197079 0.174884 Tb\n0.802921 0.802921 0.825116 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
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],
"chemical_system": "Dy-Ho-N-O-Se-Tb",
"density": 7.758083242590845,
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"volume": 288.6463539948501,
"volume_molar": 12.416206954412681,
"formula_full": "Tb2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "TbDyHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2892016894127045,
"spacegroup": 12
}
]
}