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{
"id": "oqmd-1557757",
"created_at": "2022-09-04T15:55:40.652541Z",
"updated_at": "2022-09-04T15:55:40.652571Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.595698 -1.949641 0.000000\n7.595698 1.949641 0.000000\n-1.658613 0.000000 9.719734\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.389732 0.389732 0.052117 Dy\n0.610268 0.610268 0.947883 Dy\n0.051621 0.051621 0.248529 Er\n0.948379 0.948379 0.751471 Er\n0.906226 0.906226 0.182845 N\n0.093774 0.093774 0.817155 N\n0.803730 0.803730 0.323277 Nd\n0.196270 0.196270 0.676723 Nd\n0.540149 0.540149 0.135092 O\n0.459851 0.459851 0.864908 O\n0.213720 0.213720 0.144194 S\n0.786280 0.786280 0.855806 S\n0.624427 0.624427 0.462058 Se\n0.375573 0.375573 0.537942 Se\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.048631909461562095,
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"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557687",
"created_at": "2022-09-04T15:55:40.835859Z",
"updated_at": "2022-09-04T15:55:40.835887Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551183 -1.956421 0.000000\n7.551183 1.956421 0.000000\n-0.501790 0.000000 9.413323\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386960 0.386960 0.045854 Er\n0.613040 0.613040 0.954146 Er\n0.785325 0.785325 0.312522 Ho\n0.214675 0.214675 0.687478 Ho\n0.889296 0.889296 0.170006 N\n0.110704 0.110704 0.829994 N\n0.029568 0.029568 0.276991 Nd\n0.970432 0.970432 0.723009 Nd\n0.529062 0.529062 0.142881 O\n0.470938 0.470938 0.857119 O\n0.205728 0.205728 0.154953 S\n0.794272 0.794272 0.845047 S\n0.375991 0.375991 0.496671 Se\n0.624009 0.624009 0.503329 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.372917189386988,
"density_atomic": 0.05033589185744969,
"volume": 278.13155749078095,
"volume_molar": 11.963909921482252,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.45612092193842,
"spacegroup": 12
},
{
"id": "oqmd-1557804",
"created_at": "2022-09-04T15:55:40.856627Z",
"updated_at": "2022-09-04T15:55:40.856641Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.528805 -1.925698 0.000000\n7.528805 1.925698 0.000000\n-1.396539 0.000000 9.460929\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.389803 0.389803 0.053672 Er\n0.610197 0.610197 0.946328 Er\n0.799380 0.799380 0.317578 Ho\n0.200620 0.200620 0.682422 Ho\n0.902301 0.902301 0.184559 N\n0.097699 0.097699 0.815441 N\n0.538643 0.538643 0.136788 O\n0.461357 0.461357 0.863212 O\n0.214095 0.214095 0.148886 S\n0.785905 0.785905 0.851114 S\n0.629934 0.629934 0.476056 Se\n0.370066 0.370066 0.523944 Se\n0.048910 0.048910 0.259424 Y\n0.951090 0.951090 0.740576 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.805107149217439,
"density_atomic": 0.05103287417530301,
"volume": 274.3329711728288,
"volume_molar": 11.800512625084266,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.482018153366992,
"spacegroup": 12
},
{
"id": "oqmd-1558015",
"created_at": "2022-09-04T15:55:40.854054Z",
"updated_at": "2022-09-04T15:55:40.854082Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833782 -1.956571 0.000000\n7.833782 1.956571 0.000000\n-1.690966 0.000000 9.711884\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393822 0.393822 0.057827 Gd\n0.606178 0.606178 0.942173 Gd\n0.909984 0.909984 0.194445 N\n0.090016 0.090016 0.805555 N\n0.810906 0.810906 0.336236 Nd\n0.189094 0.189094 0.663764 Nd\n0.540313 0.540313 0.137040 O\n0.459687 0.459687 0.862960 O\n0.631031 0.631031 0.459846 S\n0.368969 0.368969 0.540154 S\n0.216127 0.216127 0.146476 Se\n0.783873 0.783873 0.853524 Se\n0.054085 0.054085 0.257849 Tb\n0.945915 0.945915 0.742151 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.709295607199337,
"density_atomic": 0.047024854403859326,
"volume": 297.71490369252524,
"volume_molar": 12.806293259901649,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3205842832003265,
"spacegroup": 12
},
{
"id": "oqmd-1558016",
"created_at": "2022-09-04T15:55:40.863274Z",
"updated_at": "2022-09-04T15:55:40.863293Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808363 -1.948165 0.000000\n7.808363 1.948165 0.000000\n-1.714736 0.000000 9.688195\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.054689 0.054689 0.256366 Dy\n0.945311 0.945311 0.743634 Dy\n0.910766 0.910766 0.193773 N\n0.089234 0.089234 0.806227 N\n0.811768 0.811768 0.336233 Nd\n0.188232 0.188232 0.663767 Nd\n0.540742 0.540742 0.136285 O\n0.459258 0.459258 0.863715 O\n0.630575 0.630575 0.458310 S\n0.369425 0.369425 0.541690 S\n0.216408 0.216408 0.145619 Se\n0.783592 0.783592 0.854381 Se\n0.394437 0.394437 0.058116 Tb\n0.605563 0.605563 0.941884 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.835863463969063,
"density_atomic": 0.047497356235659434,
"volume": 294.75324753947604,
"volume_molar": 12.678896758213202,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.327359315224137,
"spacegroup": 12
},
{
"id": "oqmd-1558107",
"created_at": "2022-09-04T15:55:41.603023Z",
"updated_at": "2022-09-04T15:55:41.603040Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.800521 -1.962952 0.000000\n7.800521 1.962952 0.000000\n-1.177947 0.000000 9.521922\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.802021 0.802021 0.328074 Gd\n0.197979 0.197979 0.671926 Gd\n0.393757 0.393757 0.056381 Ho\n0.606243 0.606243 0.943619 Ho\n0.901671 0.901671 0.187368 N\n0.098329 0.098329 0.812632 N\n0.046974 0.046974 0.272444 Nd\n0.953026 0.953026 0.727556 Nd\n0.535900 0.535900 0.138166 O\n0.464100 0.464100 0.861834 O\n0.632842 0.632842 0.480671 S\n0.367158 0.367158 0.519329 S\n0.213257 0.213257 0.147902 Se\n0.786743 0.786743 0.852098 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
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],
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"density": 6.918376123103334,
"density_atomic": 0.04801093127575864,
"volume": 291.60025910742513,
"volume_molar": 12.54327004283847,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.418497616581278,
"spacegroup": 12
},
{
"id": "oqmd-1558000",
"created_at": "2022-09-04T15:55:41.098341Z",
"updated_at": "2022-09-04T15:55:41.098363Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.568441 -1.932640 0.000000\n7.568441 1.932640 0.000000\n-1.460409 0.000000 9.523041\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.951358 0.951358 0.240578 Dy\n0.048642 0.048642 0.759422 Dy\n0.199622 0.199622 0.180034 Ho\n0.800378 0.800378 0.819966 Ho\n0.098097 0.098097 0.312446 N\n0.901903 0.901903 0.687554 N\n0.461281 0.461281 0.360470 O\n0.538719 0.538719 0.639530 O\n0.785945 0.785945 0.348314 S\n0.214055 0.214055 0.651686 S\n0.369760 0.369760 0.025030 Se\n0.630240 0.630240 0.974970 Se\n0.612288 0.612288 0.447323 Tb\n0.387712 0.387712 0.552677 Tb\n",
"nsites": 14,
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"elements": [
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"N",
"O",
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],
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"density": 7.479135578306652,
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"volume": 278.5884091939038,
"volume_molar": 11.983561530501191,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.390705398557469,
"spacegroup": 12
},
{
"id": "oqmd-1557991",
"created_at": "2022-09-04T15:55:41.205585Z",
"updated_at": "2022-09-04T15:55:41.205596Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.711516 -1.919271 0.000000\n7.711516 1.919271 0.000000\n-1.559385 0.000000 9.459320\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.191409 0.191409 0.164374 Dy\n0.808591 0.808591 0.835626 Dy\n0.947949 0.947949 0.236122 Ho\n0.052051 0.052051 0.763878 Ho\n0.092179 0.092179 0.300142 N\n0.907821 0.907821 0.699858 N\n0.459879 0.459879 0.359844 O\n0.540121 0.540121 0.640156 O\n0.366769 0.366769 0.032704 S\n0.633231 0.633231 0.967296 S\n0.784413 0.784413 0.348249 Se\n0.215587 0.215587 0.651751 Se\n0.607353 0.607353 0.440616 Tb\n0.392647 0.392647 0.559384 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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],
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"density": 7.44129412878637,
"density_atomic": 0.04999908507302368,
"volume": 280.00512368482333,
"volume_molar": 12.0445019167944,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3692050335574697,
"spacegroup": 12
},
{
"id": "oqmd-1558085",
"created_at": "2022-09-04T15:55:41.530862Z",
"updated_at": "2022-09-04T15:55:41.530889Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.794580 -1.948427 0.000000\n7.794580 1.948427 0.000000\n-1.655728 0.000000 9.657673\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.604322 0.604322 0.441290 Ho\n0.395678 0.395678 0.558710 Ho\n0.089569 0.089569 0.308997 N\n0.910431 0.910431 0.691003 N\n0.189047 0.189047 0.165781 Nd\n0.810953 0.810953 0.834219 Nd\n0.459286 0.459286 0.365613 O\n0.540714 0.540714 0.634387 O\n0.369316 0.369316 0.039726 S\n0.630684 0.630684 0.960274 S\n0.783377 0.783377 0.356719 Se\n0.216623 0.216623 0.643281 Se\n0.945013 0.945013 0.243392 Tb\n0.054987 0.054987 0.756608 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.896184235145432,
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558109",
"created_at": "2022-09-04T15:55:41.173996Z",
"updated_at": "2022-09-04T15:55:41.174030Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.814801 -1.945123 0.000000\n7.814801 1.945123 0.000000\n-1.811239 0.000000 9.715417\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.605734 0.605734 0.441258 Gd\n0.394266 0.394266 0.558742 Gd\n0.943794 0.943794 0.244943 Ho\n0.056206 0.056206 0.755057 Ho\n0.087394 0.087394 0.303496 N\n0.912606 0.912606 0.696504 N\n0.185896 0.185896 0.162059 Nd\n0.814104 0.814104 0.837941 Nd\n0.458170 0.458170 0.363570 O\n0.541830 0.541830 0.636430 O\n0.368669 0.368669 0.044300 S\n0.631331 0.631331 0.955700 S\n0.782489 0.782489 0.352872 Se\n0.217511 0.217511 0.647128 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 6.830234910259913,
"density_atomic": 0.047399264370535606,
"volume": 295.36323371091595,
"volume_molar": 12.70513549097081,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4190679208669925,
"spacegroup": 12
},
{
"id": "oqmd-1558150",
"created_at": "2022-09-04T15:55:42.288460Z",
"updated_at": "2022-09-04T15:55:42.288484Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.827953 -1.962572 0.000000\n7.827953 1.962572 0.000000\n-1.230632 0.000000 9.536796\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.197697 0.197697 0.170278 Dy\n0.802303 0.802303 0.829722 Dy\n0.608197 0.608197 0.443541 Gd\n0.391803 0.391803 0.556459 Gd\n0.098813 0.098813 0.306897 N\n0.901187 0.901187 0.693103 N\n0.953247 0.953247 0.225150 Nd\n0.046753 0.046753 0.774850 Nd\n0.464009 0.464009 0.358877 O\n0.535991 0.535991 0.641123 O\n0.365101 0.365101 0.018323 S\n0.634899 0.634899 0.981677 S\n0.786466 0.786466 0.347523 Se\n0.213534 0.213534 0.652477 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.857167422999001,
"density_atomic": 0.047777314974122374,
"volume": 293.02609423704155,
"volume_molar": 12.604602756060638,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.418685407771754,
"spacegroup": 12
},
{
"id": "oqmd-1558029",
"created_at": "2022-09-04T15:55:42.312821Z",
"updated_at": "2022-09-04T15:55:42.312841Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.830928 -1.966890 0.000000\n7.830928 1.966890 0.000000\n-1.232771 0.000000 9.564223\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.197689 0.197689 0.170632 Gd\n0.802311 0.802311 0.829368 Gd\n0.098218 0.098218 0.309605 N\n0.901782 0.901782 0.690395 N\n0.952893 0.952893 0.227207 Nd\n0.047107 0.047107 0.772793 Nd\n0.463941 0.463941 0.360426 O\n0.536059 0.536059 0.639574 O\n0.366562 0.366562 0.019947 S\n0.633438 0.633438 0.980053 S\n0.786750 0.786750 0.350653 Se\n0.213250 0.213250 0.649347 Se\n0.607307 0.607307 0.443821 Tb\n0.392693 0.392693 0.556179 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.7796068622647025,
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"volume": 294.62730452113414,
"volume_molar": 12.673479282611813,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.321262009628899,
"spacegroup": 12
}
]
}