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{
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"results": [
{
"id": "oqmd-1558028",
"created_at": "2022-09-04T15:55:42.297881Z",
"updated_at": "2022-09-04T15:55:42.297909Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.819807 -1.964951 0.000000\n7.819807 1.964951 0.000000\n-1.197934 0.000000 9.539036\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.606902 0.606902 0.443859 Dy\n0.393098 0.393098 0.556141 Dy\n0.197681 0.197681 0.171022 Gd\n0.802319 0.802319 0.828978 Gd\n0.098403 0.098403 0.311486 N\n0.901597 0.901597 0.688514 N\n0.953129 0.953129 0.227609 Nd\n0.046871 0.046871 0.772391 Nd\n0.464189 0.464189 0.361197 O\n0.535811 0.535811 0.638803 O\n0.367165 0.367165 0.019638 S\n0.632835 0.632835 0.980362 S\n0.786652 0.786652 0.350638 Se\n0.213348 0.213348 0.649362 Se\n",
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"elements": [
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558221",
"created_at": "2022-09-04T15:55:42.466619Z",
"updated_at": "2022-09-04T15:55:42.466632Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.850044 -1.942095 0.000000\n7.850044 1.942095 0.000000\n-1.576348 0.000000 9.588891\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808521 0.808521 0.338487 Ho\n0.191479 0.191479 0.661513 Ho\n0.906414 0.906414 0.206963 N\n0.093586 0.093586 0.793037 N\n0.389635 0.389635 0.058611 Nd\n0.610365 0.610365 0.941389 Nd\n0.538913 0.538913 0.145394 O\n0.461087 0.461087 0.854606 O\n0.635460 0.635460 0.469954 S\n0.364540 0.364540 0.530046 S\n0.215455 0.215455 0.160659 Se\n0.784545 0.784545 0.839341 Se\n0.050415 0.050415 0.268826 Tb\n0.949585 0.949585 0.731174 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
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"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.919062709248369,
"density_atomic": 0.04788363337974012,
"volume": 292.37547386960597,
"volume_molar": 12.576616131531921,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3237719683193734,
"spacegroup": 12
},
{
"id": "oqmd-1557658",
"created_at": "2022-09-04T15:55:39.591619Z",
"updated_at": "2022-09-04T15:55:39.591638Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.731086 -1.916608 0.000000\n7.731086 1.916608 0.000000\n-1.588505 0.000000 9.472710\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.808919 0.808919 0.337340 Dy\n0.191081 0.191081 0.662660 Dy\n0.052065 0.052065 0.264228 Er\n0.947935 0.947935 0.735772 Er\n0.392095 0.392095 0.059644 Gd\n0.607905 0.607905 0.940356 Gd\n0.908076 0.908076 0.202692 N\n0.091924 0.091924 0.797308 N\n0.540030 0.540030 0.141429 O\n0.459970 0.459970 0.858571 O\n0.633171 0.633171 0.465556 S\n0.366829 0.366829 0.534444 S\n0.215292 0.215292 0.153556 Se\n0.784708 0.784708 0.846444 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.429993412332584,
"density_atomic": 0.04987122053716249,
"volume": 280.72302721301224,
"volume_molar": 12.075382746071929,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.459144201343183,
"spacegroup": 12
},
{
"id": "oqmd-1557686",
"created_at": "2022-09-04T15:55:39.585926Z",
"updated_at": "2022-09-04T15:55:39.585942Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.574833 -1.930835 0.000000\n7.574833 1.930835 0.000000\n-1.575243 0.000000 9.568819\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.802016 0.802016 0.322759 Dy\n0.197984 0.197984 0.677241 Dy\n0.050497 0.050497 0.256470 Er\n0.949503 0.949503 0.743530 Er\n0.387685 0.387685 0.053597 Gd\n0.612315 0.612315 0.946403 Gd\n0.904380 0.904380 0.191345 N\n0.095620 0.095620 0.808655 N\n0.539880 0.539880 0.139291 O\n0.460120 0.460120 0.860709 O\n0.214467 0.214467 0.151988 S\n0.785533 0.785533 0.848012 S\n0.630121 0.630121 0.469717 Se\n0.369879 0.369879 0.530283 Se\n",
"nsites": 14,
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"density": 7.451777975449224,
"density_atomic": 0.05001744176391249,
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"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558229",
"created_at": "2022-09-04T15:55:39.734092Z",
"updated_at": "2022-09-04T15:55:39.734110Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.651757 -1.978403 0.000000\n7.651757 1.978403 0.000000\n-0.836081 0.000000 9.569984\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.613757 0.613757 0.452817 Gd\n0.386243 0.386243 0.547183 Gd\n0.107687 0.107687 0.323658 N\n0.892313 0.892313 0.676342 N\n0.964510 0.964510 0.227064 Nd\n0.035490 0.035490 0.772936 Nd\n0.468501 0.468501 0.356823 O\n0.531499 0.531499 0.643177 O\n0.792000 0.792000 0.344794 S\n0.208000 0.208000 0.655206 S\n0.373849 0.373849 0.005114 Se\n0.626151 0.626151 0.994886 Se\n0.210554 0.210554 0.184632 Tb\n0.789446 0.789446 0.815368 Tb\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
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"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.893826741903539,
"density_atomic": 0.04831821666578333,
"volume": 289.7457929136308,
"volume_molar": 12.463499639597822,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557667",
"created_at": "2022-09-04T15:55:39.681259Z",
"updated_at": "2022-09-04T15:55:39.681286Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.795127 -1.950898 0.000000\n7.795127 1.950898 0.000000\n-1.560777 0.000000 9.625856\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.604415 0.604415 0.442470 Er\n0.395585 0.395585 0.557530 Er\n0.947397 0.947397 0.240510 Gd\n0.052603 0.052603 0.759490 Gd\n0.091812 0.091812 0.311069 N\n0.908188 0.908188 0.688931 N\n0.192235 0.192235 0.167877 Nd\n0.807765 0.807765 0.832123 Nd\n0.461067 0.461067 0.365134 O\n0.538933 0.538933 0.634866 O\n0.369865 0.369865 0.035849 S\n0.630135 0.630135 0.964151 S\n0.785247 0.785247 0.358143 Se\n0.214753 0.214753 0.641857 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Gd-N-Nd-O-S-Se",
"density": 6.917141340911273,
"density_atomic": 0.04781904745699288,
"volume": 292.77036546140346,
"volume_molar": 12.593602508322958,
"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.417996644676516,
"spacegroup": 12
},
{
"id": "oqmd-1557669",
"created_at": "2022-09-04T15:55:39.692362Z",
"updated_at": "2022-09-04T15:55:39.692374Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.551106 -1.932117 0.000000\n7.551106 1.932117 0.000000\n-1.442657 0.000000 9.526235\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950075 0.950075 0.243429 Dy\n0.049925 0.049925 0.756571 Dy\n0.610364 0.610364 0.446827 Er\n0.389636 0.389636 0.553173 Er\n0.096682 0.096682 0.316228 N\n0.903318 0.903318 0.683772 N\n0.460988 0.460988 0.363841 O\n0.539012 0.539012 0.636159 O\n0.785667 0.785667 0.353046 S\n0.214333 0.214333 0.646954 S\n0.370961 0.370961 0.027105 Se\n0.629039 0.629039 0.972895 Se\n0.199394 0.199394 0.181225 Tb\n0.800606 0.800606 0.818775 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.52364277538568,
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557692",
"created_at": "2022-09-04T15:55:37.672546Z",
"updated_at": "2022-09-04T15:55:37.672565Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.558964 -1.932118 0.000000\n7.558964 1.932118 0.000000\n-1.578969 0.000000 9.581831\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.388805 0.388805 0.053169 Dy\n0.611195 0.611195 0.946831 Dy\n0.050857 0.050857 0.253640 Er\n0.949143 0.949143 0.746360 Er\n0.802071 0.802071 0.321570 Gd\n0.197929 0.197929 0.678430 Gd\n0.904768 0.904768 0.186927 N\n0.095232 0.095232 0.813073 N\n0.540155 0.540155 0.136765 O\n0.459845 0.459845 0.863235 O\n0.214103 0.214103 0.147449 S\n0.785897 0.785897 0.852551 S\n0.628359 0.628359 0.468245 Se\n0.371641 0.371641 0.531755 Se\n",
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},
{
"id": "oqmd-1557695",
"created_at": "2022-09-04T15:55:37.688917Z",
"updated_at": "2022-09-04T15:55:37.688942Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.556931 -1.940994 0.000000\n7.556931 1.940994 0.000000\n-1.289886 0.000000 9.512560\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610754 0.610754 0.447628 Er\n0.389246 0.389246 0.552372 Er\n0.952619 0.952619 0.239196 Gd\n0.047381 0.047381 0.760804 Gd\n0.099086 0.099086 0.318183 N\n0.900914 0.900914 0.681817 N\n0.462268 0.462268 0.363038 O\n0.537732 0.537732 0.636962 O\n0.786775 0.786775 0.352429 S\n0.213225 0.213225 0.647571 S\n0.370337 0.370337 0.021656 Se\n0.629663 0.629663 0.978344 Se\n0.202385 0.202385 0.182904 Y\n0.797615 0.797615 0.817096 Y\n",
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"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,
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"elements": [
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],
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"volume": 289.7874164785799,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.343340622128898,
"spacegroup": 12
},
{
"id": "oqmd-1557738",
"created_at": "2022-09-04T15:55:38.175005Z",
"updated_at": "2022-09-04T15:55:38.175019Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.706814 -1.911863 0.000000\n7.706814 1.911863 0.000000\n-1.556692 0.000000 9.421802\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948135 0.948135 0.235070 Er\n0.051865 0.051865 0.764930 Er\n0.191644 0.191644 0.164067 Ho\n0.808356 0.808356 0.835933 Ho\n0.092266 0.092266 0.298316 N\n0.907734 0.907734 0.701684 N\n0.460242 0.460242 0.358674 O\n0.539758 0.539758 0.641326 O\n0.366087 0.366087 0.032864 S\n0.633913 0.633913 0.967136 S\n0.784776 0.784776 0.347468 Se\n0.215224 0.215224 0.652532 Se\n0.607517 0.607517 0.440317 Tb\n0.392483 0.392483 0.559683 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.56137390768283,
"density_atomic": 0.05042343416891864,
"volume": 277.64868122825516,
"volume_molar": 11.94313885846373,
"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.372669718319373,
"spacegroup": 12
},
{
"id": "oqmd-1557751",
"created_at": "2022-09-04T15:55:39.975099Z",
"updated_at": "2022-09-04T15:55:39.975120Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.643697 -1.945636 0.000000\n7.643697 1.945636 0.000000\n-1.557793 0.000000 9.637809\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198565 0.198565 0.174175 Er\n0.801435 0.801435 0.825825 Er\n0.951479 0.951479 0.238406 Ho\n0.048521 0.048521 0.761594 Ho\n0.097326 0.097326 0.302417 N\n0.902674 0.902674 0.697583 N\n0.615001 0.615001 0.447225 Nd\n0.384999 0.384999 0.552775 Nd\n0.461056 0.461056 0.355535 O\n0.538944 0.538944 0.644465 O\n0.785682 0.785682 0.338760 S\n0.214318 0.214318 0.661240 S\n0.368414 0.368414 0.027711 Se\n0.631586 0.631586 0.972289 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.153461702366838,
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"volume": 286.66413918959915,
"volume_molar": 12.330941407457132,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.442575003366992,
"spacegroup": 12
}
]
}