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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-elements&page=51",
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"results": [
{
"id": "oqmd-1557883",
"created_at": "2022-09-04T15:55:40.369755Z",
"updated_at": "2022-09-04T15:55:40.369781Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.711147 -1.916729 0.000000\n7.711147 1.916729 0.000000\n-1.543264 0.000000 9.438844\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.191737 0.191737 0.164507 Ho\n0.948186 0.948186 0.234974 Ho\n0.051814 0.051814 0.765026 Ho\n0.808263 0.808263 0.835493 Ho\n0.092579 0.092579 0.299297 N\n0.907421 0.907421 0.700703 N\n0.460070 0.460070 0.359485 O\n0.539930 0.539930 0.640515 O\n0.366157 0.366157 0.031660 S\n0.633843 0.633843 0.968340 S\n0.784434 0.784434 0.347392 Se\n0.215566 0.215566 0.652608 Se\n0.607485 0.607485 0.440475 Tb\n0.392515 0.392515 0.559525 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
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},
{
"id": "oqmd-1557890",
"created_at": "2022-09-04T15:55:40.398319Z",
"updated_at": "2022-09-04T15:55:40.398352Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.560169 -1.928512 0.000000\n7.560169 1.928512 0.000000\n-1.487036 0.000000 9.527395\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.199173 0.199173 0.179091 Ho\n0.950834 0.950834 0.242003 Ho\n0.049166 0.049166 0.757997 Ho\n0.800827 0.800827 0.820909 Ho\n0.097140 0.097140 0.310797 N\n0.902860 0.902860 0.689203 N\n0.460956 0.460956 0.361020 O\n0.539044 0.539044 0.638980 O\n0.785806 0.785806 0.348099 S\n0.214194 0.214194 0.651901 S\n0.369411 0.369411 0.027346 Se\n0.630589 0.630589 0.972654 Se\n0.612104 0.612104 0.446703 Tb\n0.387896 0.387896 0.553297 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.528969154376097,
"density_atomic": 0.05039297747337059,
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"volume_molar": 11.950357097240998,
"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557909",
"created_at": "2022-09-04T15:55:40.688738Z",
"updated_at": "2022-09-04T15:55:40.688769Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.716610 -1.924634 0.000000\n7.716610 1.924634 0.000000\n-1.463880 0.000000 9.454479\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.393767 0.393767 0.058903 Ho\n0.606233 0.606233 0.941097 Ho\n0.906453 0.906453 0.195106 N\n0.093547 0.093547 0.804894 N\n0.539153 0.539153 0.138766 O\n0.460847 0.460847 0.861234 O\n0.632890 0.632890 0.470289 S\n0.367110 0.367110 0.529711 S\n0.214822 0.214822 0.148177 Se\n0.785178 0.785178 0.851823 Se\n0.051427 0.051427 0.265429 Tb\n0.806824 0.806824 0.332695 Tb\n0.193176 0.193176 0.667305 Tb\n0.948573 0.948573 0.734571 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"density": 7.377183721054073,
"density_atomic": 0.04985236124803846,
"volume": 280.8292255274239,
"volume_molar": 12.079950897485228,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.272165583986041,
"spacegroup": 12
},
{
"id": "oqmd-1558591",
"created_at": "2022-09-04T15:55:44.096794Z",
"updated_at": "2022-09-04T15:55:44.096821Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.842687 -1.966836 0.000000\n7.842687 1.966836 0.000000\n-1.364506 0.000000 9.707528\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.804757 0.804757 0.330470 Ho\n0.195243 0.195243 0.669530 Ho\n0.903148 0.903148 0.198380 N\n0.096852 0.096852 0.801620 N\n0.388931 0.388931 0.055270 Nd\n0.611069 0.611069 0.944730 Nd\n0.536765 0.536765 0.144893 O\n0.463235 0.463235 0.855107 O\n0.213063 0.213063 0.159951 Se\n0.630279 0.630279 0.471954 Se\n0.369721 0.369721 0.528046 Se\n0.786937 0.786937 0.840049 Se\n0.044937 0.044937 0.264024 Y\n0.955063 0.955063 0.735976 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-Nd-O-Se-Y",
"density": 6.49842625097742,
"density_atomic": 0.04674728109194905,
"volume": 299.48265809219697,
"volume_molar": 12.882333730072594,
"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "NdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.334177838507941,
"spacegroup": 12
},
{
"id": "oqmd-1558685",
"created_at": "2022-09-04T15:55:44.260016Z",
"updated_at": "2022-09-04T15:55:44.260043Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.759598 -1.976441 0.000000\n7.759598 1.976441 0.000000\n-0.596928 0.000000 9.545120\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.207742 0.207742 0.179506 Ho\n0.792258 0.792258 0.820494 Ho\n0.108149 0.108149 0.322893 N\n0.891851 0.891851 0.677107 N\n0.969339 0.969339 0.223587 Nd\n0.030661 0.030661 0.776413 Nd\n0.470606 0.470606 0.355778 O\n0.529394 0.529394 0.644222 O\n0.375723 0.375723 0.002502 Se\n0.793069 0.793069 0.344874 Se\n0.206931 0.206931 0.655126 Se\n0.624277 0.624277 0.997498 Se\n0.610664 0.610664 0.450697 Y\n0.389336 0.389336 0.549303 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.647301975615954,
"density_atomic": 0.04781823813272463,
"volume": 292.77532060343805,
"volume_molar": 12.59381565520023,
"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "NdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3443954456507976,
"spacegroup": 12
},
{
"id": "oqmd-1558624",
"created_at": "2022-09-04T15:55:41.444241Z",
"updated_at": "2022-09-04T15:55:41.444263Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.805892 -1.963194 0.000000\n7.805892 1.963194 0.000000\n-1.555921 0.000000 9.806514\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.050825 0.050825 0.249520 Ho\n0.949175 0.949175 0.750480 Ho\n0.908739 0.908739 0.186741 N\n0.091261 0.091261 0.813259 N\n0.808970 0.808970 0.328742 Nd\n0.191030 0.191030 0.671258 Nd\n0.539795 0.539795 0.134985 O\n0.460205 0.460205 0.865015 O\n0.214910 0.214910 0.143554 Se\n0.626076 0.626076 0.459050 Se\n0.373924 0.373924 0.540950 Se\n0.785090 0.785090 0.856446 Se\n0.393880 0.393880 0.056009 Y\n0.606120 0.606120 0.943991 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.475144566300245,
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"volume": 300.55946197519796,
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "NdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.336929022079369,
"spacegroup": 12
},
{
"id": "oqmd-1558626",
"created_at": "2022-09-04T15:55:44.482206Z",
"updated_at": "2022-09-04T15:55:44.482225Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.787661 -1.969610 0.000000\n7.787661 1.969610 0.000000\n-1.475913 0.000000 9.780537\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.605331 0.605331 0.443897 Ho\n0.394669 0.394669 0.556103 Ho\n0.092370 0.092370 0.316226 N\n0.907630 0.907630 0.683774 N\n0.192210 0.192210 0.172672 Nd\n0.807790 0.807790 0.827328 Nd\n0.461006 0.461006 0.366703 O\n0.538994 0.538994 0.633297 O\n0.375322 0.375322 0.038023 Se\n0.784967 0.784967 0.357612 Se\n0.215033 0.215033 0.642388 Se\n0.624678 0.624678 0.961977 Se\n0.949684 0.949684 0.249594 Y\n0.050316 0.050316 0.750406 Y\n",
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],
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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},
{
"id": "oqmd-1558670",
"created_at": "2022-09-04T15:55:45.304509Z",
"updated_at": "2022-09-04T15:55:45.304537Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.763942 -1.975412 0.000000\n7.763942 1.975412 0.000000\n-0.685505 0.000000 9.573976\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.608864 0.608864 0.448698 Ho\n0.391136 0.391136 0.551302 Ho\n0.105500 0.105500 0.323187 N\n0.894500 0.894500 0.676813 N\n0.965353 0.965353 0.226911 Nd\n0.034647 0.034647 0.773089 Nd\n0.469296 0.469296 0.359130 O\n0.530704 0.530704 0.640870 O\n0.374315 0.374315 0.007783 Se\n0.791357 0.791357 0.348900 Se\n0.208643 0.208643 0.651100 Se\n0.625685 0.625685 0.992217 Se\n0.206279 0.206279 0.179920 Y\n0.793721 0.793721 0.820080 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558561",
"created_at": "2022-09-04T15:55:42.550197Z",
"updated_at": "2022-09-04T15:55:42.550228Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.823033 -1.961831 0.000000\n7.823033 1.961831 0.000000\n-1.432472 0.000000 9.747161\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.045689 0.045689 0.260270 Ho\n0.954311 0.954311 0.739730 Ho\n0.904415 0.904415 0.198890 N\n0.095585 0.095585 0.801110 N\n0.388487 0.388487 0.055508 Nd\n0.611513 0.611513 0.944492 Nd\n0.537258 0.537258 0.143958 O\n0.462742 0.462742 0.856042 O\n0.213392 0.213392 0.158508 Se\n0.629906 0.629906 0.467420 Se\n0.370094 0.370094 0.532580 Se\n0.786608 0.786608 0.841492 Se\n0.805817 0.805817 0.332489 Y\n0.194183 0.194183 0.667511 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558196",
"created_at": "2022-09-04T15:55:42.005381Z",
"updated_at": "2022-09-04T15:55:42.005411Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.814497 -1.971188 0.000000\n7.814497 1.971188 0.000000\n-1.465498 0.000000 9.810132\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.394778 0.394778 0.055646 Ho\n0.605222 0.605222 0.944354 Ho\n0.907268 0.907268 0.183161 N\n0.092732 0.092732 0.816839 N\n0.807061 0.807061 0.326063 Nd\n0.192939 0.192939 0.673937 Nd\n0.538370 0.538370 0.133366 O\n0.461630 0.461630 0.866634 O\n0.214360 0.214360 0.141952 Se\n0.625954 0.625954 0.463335 Se\n0.374046 0.374046 0.536665 Se\n0.785640 0.785640 0.858048 Se\n0.049757 0.049757 0.251596 Tb\n0.950243 0.950243 0.748404 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.208829379193586,
"density_atomic": 0.04632272650110035,
"volume": 302.2274606324704,
"volume_molar": 13.000402210472112,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2519480048888942,
"spacegroup": 12
},
{
"id": "oqmd-1558183",
"created_at": "2022-09-04T15:55:42.661089Z",
"updated_at": "2022-09-04T15:55:42.661120Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.799613 -1.983041 0.000000\n7.799613 1.983041 0.000000\n-0.835136 0.000000 9.612680\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.392750 0.392750 0.053473 Ho\n0.607250 0.607250 0.946527 Ho\n0.898032 0.898032 0.179347 N\n0.101968 0.101968 0.820653 N\n0.039634 0.039634 0.269900 Nd\n0.960366 0.960366 0.730100 Nd\n0.533319 0.533319 0.138910 O\n0.466681 0.466681 0.861090 O\n0.211281 0.211281 0.148075 Se\n0.627899 0.627899 0.487327 Se\n0.372101 0.372101 0.512673 Se\n0.788719 0.788719 0.851925 Se\n0.797121 0.797121 0.319950 Tb\n0.202879 0.202879 0.680050 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ho-N-Nd-O-Se-Tb",
"density": 7.32688609543005,
"density_atomic": 0.04708133912600499,
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"volume_molar": 12.79092921270313,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2574230827460378,
"spacegroup": 12
},
{
"id": "oqmd-1558105",
"created_at": "2022-09-04T15:55:41.963476Z",
"updated_at": "2022-09-04T15:55:41.963504Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.808062 -1.982033 0.000000\n7.808062 1.982033 0.000000\n-0.804130 0.000000 9.608183\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.796094 0.796094 0.320617 Ho\n0.203906 0.203906 0.679383 Ho\n0.895641 0.895641 0.181085 N\n0.104359 0.104359 0.818915 N\n0.036858 0.036858 0.273254 Nd\n0.963142 0.963142 0.726746 Nd\n0.531869 0.531869 0.142108 O\n0.468131 0.468131 0.857892 O\n0.210237 0.210237 0.153148 Se\n0.628162 0.628162 0.490478 Se\n0.371838 0.371838 0.509522 Se\n0.789763 0.789763 0.846852 Se\n0.390750 0.390750 0.052287 Tb\n0.609250 0.609250 0.947713 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
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"spacegroup": 12
}
]
}