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{
"count": 1013513,
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"results": [
{
"id": "oqmd-1557368",
"created_at": "2022-09-04T15:55:47.707522Z",
"updated_at": "2022-09-04T15:55:47.707542Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.601718 -1.963967 0.000000\n7.601718 1.963967 0.000000\n-0.727204 0.000000 9.473025\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.787042 0.787042 0.314431 Dy\n0.212958 0.212958 0.685569 Dy\n0.889763 0.889763 0.173325 N\n0.110237 0.110237 0.826675 N\n0.031850 0.031850 0.275716 Nd\n0.968150 0.968150 0.724284 Nd\n0.530323 0.530323 0.143797 O\n0.469677 0.469677 0.856203 O\n0.206268 0.206268 0.155148 S\n0.793732 0.793732 0.844852 S\n0.624689 0.624689 0.499778 Se\n0.375311 0.375311 0.500222 Se\n0.385670 0.385670 0.045561 Y\n0.614330 0.614330 0.954439 Y\n",
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"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557126",
"created_at": "2022-09-04T15:55:47.365928Z",
"updated_at": "2022-09-04T15:55:47.365938Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.786220 -1.951724 0.000000\n7.786220 1.951724 0.000000\n-1.659121 0.000000 9.642870\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.394818 0.394818 0.058029 Dy\n0.605182 0.605182 0.941971 Dy\n0.909798 0.909798 0.192336 N\n0.090202 0.090202 0.807664 N\n0.810370 0.810370 0.335643 Nd\n0.189630 0.189630 0.664357 Nd\n0.540450 0.540450 0.135738 O\n0.459550 0.459550 0.864262 O\n0.629487 0.629487 0.459889 S\n0.370513 0.370513 0.540111 S\n0.215866 0.215866 0.144667 Se\n0.784134 0.784134 0.855333 Se\n0.054262 0.054262 0.257603 Y\n0.945738 0.945738 0.742397 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.081521883702415,
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"volume": 293.07675931746286,
"volume_molar": 12.606782129245737,
"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "NdDyYSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558195",
"created_at": "2022-09-04T15:55:41.991400Z",
"updated_at": "2022-09-04T15:55:41.991430Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.839037 -1.965990 0.000000\n7.839037 1.965990 0.000000\n-1.230963 0.000000 9.555580\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.608177 0.608177 0.444032 Gd\n0.391823 0.391823 0.555968 Gd\n0.098627 0.098627 0.308250 N\n0.901373 0.901373 0.691750 N\n0.953258 0.953258 0.226448 Nd\n0.046742 0.046742 0.773552 Nd\n0.464211 0.464211 0.359467 O\n0.535789 0.535789 0.640533 O\n0.366365 0.366365 0.019238 S\n0.633635 0.633635 0.980762 S\n0.786514 0.786514 0.347234 Se\n0.213486 0.213486 0.652766 Se\n0.197131 0.197131 0.169635 Tb\n0.802869 0.802869 0.830365 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": 6.781822766376918,
"density_atomic": 0.04753319079270342,
"volume": 294.5310375029372,
"volume_molar": 12.669338328796618,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.321683866771756,
"spacegroup": 12
},
{
"id": "oqmd-1558235",
"created_at": "2022-09-04T15:55:41.668491Z",
"updated_at": "2022-09-04T15:55:41.668518Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.620700 -1.971467 0.000000\n7.620700 1.971467 0.000000\n-0.765535 0.000000 9.521468\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.211341 0.211341 0.185673 Dy\n0.788659 0.788659 0.814327 Dy\n0.108373 0.108373 0.324957 N\n0.891627 0.891627 0.675043 N\n0.965590 0.965590 0.226018 Nd\n0.034410 0.034410 0.773982 Nd\n0.468848 0.468848 0.356984 O\n0.531152 0.531152 0.643016 O\n0.792197 0.792197 0.344655 S\n0.207803 0.207803 0.655345 S\n0.373755 0.373755 0.003207 Se\n0.626245 0.626245 0.996793 Se\n0.613496 0.613496 0.452870 Tb\n0.386504 0.386504 0.547130 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density": 7.042610882751975,
"density_atomic": 0.0489338910424903,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558198",
"created_at": "2022-09-04T15:55:41.626956Z",
"updated_at": "2022-09-04T15:55:41.626984Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833626 -1.960004 0.000000\n7.833626 1.960004 0.000000\n-1.634112 0.000000 9.692861\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.053843 0.053843 0.258653 Gd\n0.946157 0.946157 0.741347 Gd\n0.909285 0.909285 0.192505 N\n0.090715 0.090715 0.807495 N\n0.809839 0.809839 0.334765 Nd\n0.190161 0.190161 0.665235 Nd\n0.540035 0.540035 0.136051 O\n0.459965 0.459965 0.863949 O\n0.631151 0.631151 0.461848 S\n0.368849 0.368849 0.538152 S\n0.215980 0.215980 0.145029 Se\n0.784020 0.784020 0.854971 Se\n0.394402 0.394402 0.058034 Tb\n0.605598 0.605598 0.941966 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
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"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.710822187821765,
"density_atomic": 0.04703555407126232,
"volume": 297.6471793824087,
"volume_molar": 12.803380078984535,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557808",
"created_at": "2022-09-04T15:55:41.496498Z",
"updated_at": "2022-09-04T15:55:41.496520Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.849663 -1.943784 0.000000\n7.849663 1.943784 0.000000\n-1.542480 0.000000 9.564696\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.192700 0.192700 0.162905 Er\n0.807300 0.807300 0.837095 Er\n0.949432 0.949432 0.228187 Gd\n0.050568 0.050568 0.771813 Gd\n0.094059 0.094059 0.292285 N\n0.905941 0.905941 0.707715 N\n0.610049 0.610049 0.441134 Nd\n0.389951 0.389951 0.558866 Nd\n0.460846 0.460846 0.353904 O\n0.539154 0.539154 0.646096 O\n0.362864 0.362864 0.027523 S\n0.637136 0.637136 0.972477 S\n0.784601 0.784601 0.339859 Se\n0.215399 0.215399 0.660141 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
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],
"chemical_system": "Er-Gd-N-Nd-O-S-Se",
"density": 6.938308128418278,
"density_atomic": 0.0479653760581338,
"volume": 291.8772070718693,
"volume_molar": 12.55518304016046,
"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.41459598396223,
"spacegroup": 12
},
{
"id": "oqmd-1558079",
"created_at": "2022-09-04T15:55:41.435786Z",
"updated_at": "2022-09-04T15:55:41.435805Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.603814 -1.969354 0.000000\n7.603814 1.969354 0.000000\n-0.576427 0.000000 9.486439\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.384642 0.384642 0.044535 Gd\n0.615358 0.615358 0.955465 Gd\n0.785442 0.785442 0.315823 Ho\n0.214558 0.214558 0.684177 Ho\n0.888093 0.888093 0.173664 N\n0.111907 0.111907 0.826336 N\n0.028562 0.028562 0.278101 Nd\n0.971438 0.971438 0.721899 Nd\n0.528343 0.528343 0.146348 O\n0.471657 0.471657 0.853652 O\n0.204885 0.204885 0.160027 S\n0.795115 0.795115 0.839973 S\n0.376211 0.376211 0.496753 Se\n0.623789 0.623789 0.503247 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.100739596382526,
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
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"formation_energy": -2.446208898009849,
"spacegroup": 12
},
{
"id": "oqmd-1557949",
"created_at": "2022-09-04T15:55:41.480770Z",
"updated_at": "2022-09-04T15:55:41.480794Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.716095 -1.921772 0.000000\n7.716095 1.921772 0.000000\n-1.452867 0.000000 9.425702\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607343 0.607343 0.441291 Dy\n0.392657 0.392657 0.558709 Dy\n0.194034 0.194034 0.166855 Ho\n0.805966 0.805966 0.833145 Ho\n0.094611 0.094611 0.302536 N\n0.905389 0.905389 0.697464 N\n0.461636 0.461636 0.359584 O\n0.538364 0.538364 0.640416 O\n0.365617 0.365617 0.028178 S\n0.634383 0.634383 0.971822 S\n0.785430 0.785430 0.348791 Se\n0.214570 0.214570 0.651209 Se\n0.949833 0.949833 0.232360 Tb\n0.050167 0.050167 0.767640 Tb\n",
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"density": 7.45368990941399,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558182",
"created_at": "2022-09-04T15:55:42.513535Z",
"updated_at": "2022-09-04T15:55:42.513549Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.661861 -1.953745 0.000000\n7.661861 1.953745 0.000000\n-1.483333 0.000000 9.663546\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.953312 0.953312 0.237642 Dy\n0.046688 0.046688 0.762358 Dy\n0.199707 0.199707 0.175487 Ho\n0.800293 0.800293 0.824513 Ho\n0.098685 0.098685 0.305452 N\n0.901315 0.901315 0.694548 N\n0.614883 0.614883 0.448109 Nd\n0.385117 0.385117 0.551891 Nd\n0.462165 0.462165 0.355294 O\n0.537835 0.537835 0.644706 O\n0.786891 0.786891 0.338556 S\n0.213109 0.213109 0.661444 S\n0.369431 0.369431 0.025289 Se\n0.630569 0.630569 0.974711 Se\n",
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558208",
"created_at": "2022-09-04T15:55:41.640405Z",
"updated_at": "2022-09-04T15:55:41.640429Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.625219 -1.956201 0.000000\n7.625219 1.956201 0.000000\n-1.519997 0.000000 9.706989\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.951018 0.951018 0.249180 Dy\n0.048982 0.048982 0.750820 Dy\n0.609941 0.609941 0.449012 Ho\n0.390059 0.390059 0.550988 Ho\n0.096030 0.096030 0.320872 N\n0.903970 0.903970 0.679128 N\n0.198906 0.198906 0.179351 Nd\n0.801094 0.801094 0.820649 Nd\n0.461745 0.461745 0.365249 O\n0.538255 0.538255 0.634751 O\n0.787514 0.787514 0.356231 S\n0.212486 0.212486 0.643769 S\n0.375792 0.375792 0.033176 Se\n0.624208 0.624208 0.966824 Se\n",
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"elements": [
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"S",
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],
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"density": 7.026662051140653,
"density_atomic": 0.04834457031703832,
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"volume_molar": 12.456705521442158,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.442565007890801,
"spacegroup": 12
},
{
"id": "oqmd-1558042",
"created_at": "2022-09-04T15:55:41.275029Z",
"updated_at": "2022-09-04T15:55:41.275048Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.651168 -1.964002 0.000000\n7.651168 1.964002 0.000000\n-1.494934 0.000000 9.728209\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389559 0.389559 0.050734 Dy\n0.610441 0.610441 0.949266 Dy\n0.903321 0.903321 0.179582 N\n0.096679 0.096679 0.820418 N\n0.800424 0.800424 0.320538 Nd\n0.199576 0.199576 0.679462 Nd\n0.537881 0.537881 0.135458 O\n0.462119 0.462119 0.864542 O\n0.212291 0.212291 0.144698 S\n0.787709 0.787709 0.855302 S\n0.624649 0.624649 0.468590 Se\n0.375351 0.375351 0.531410 Se\n0.048433 0.048433 0.252514 Tb\n0.951567 0.951567 0.747486 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.891589914010724,
"density_atomic": 0.04788455809586754,
"volume": 292.36982770042954,
"volume_molar": 12.576373259920956,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.344229024509852,
"spacegroup": 12
},
{
"id": "oqmd-1558104",
"created_at": "2022-09-04T15:55:42.016277Z",
"updated_at": "2022-09-04T15:55:42.016305Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.681632 -1.960831 0.000000\n7.681632 1.960831 0.000000\n-1.505976 0.000000 9.701342\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.046963 0.046963 0.260475 Dy\n0.953037 0.953037 0.739525 Dy\n0.901774 0.901774 0.193494 N\n0.098226 0.098226 0.806506 N\n0.385286 0.385286 0.051631 Nd\n0.614714 0.614714 0.948369 Nd\n0.537803 0.537803 0.143937 O\n0.462197 0.462197 0.856063 O\n0.212837 0.212837 0.159708 S\n0.787163 0.787163 0.840292 S\n0.629187 0.629187 0.472640 Se\n0.370813 0.370813 0.527360 Se\n0.800489 0.800489 0.325286 Tb\n0.199511 0.199511 0.674714 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 12.57124642065043,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3422075609384225,
"spacegroup": 12
}
]
}