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{
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{
"id": "oqmd-1558045",
"created_at": "2022-09-04T15:55:41.291048Z",
"updated_at": "2022-09-04T15:55:41.291070Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.821260 -1.956907 0.000000\n7.821260 1.956907 0.000000\n-1.602529 0.000000 9.666937\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.605145 0.605145 0.441978 Dy\n0.394855 0.394855 0.558022 Dy\n0.946399 0.946399 0.241380 Gd\n0.053601 0.053601 0.758620 Gd\n0.090961 0.090961 0.308856 N\n0.909039 0.909039 0.691144 N\n0.190553 0.190553 0.165966 Nd\n0.809447 0.809447 0.834034 Nd\n0.460144 0.460144 0.364480 O\n0.539856 0.539856 0.635520 O\n0.369397 0.369397 0.037441 S\n0.630603 0.630603 0.962559 S\n0.784326 0.784326 0.355882 Se\n0.215674 0.215674 0.644118 Se\n",
"nsites": 14,
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"elements": [
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"density": 6.79024204885188,
"density_atomic": 0.04731101242043768,
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558052",
"created_at": "2022-09-04T15:55:41.302218Z",
"updated_at": "2022-09-04T15:55:41.302242Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.864901 -1.948167 0.000000\n7.864901 1.948167 0.000000\n-1.683386 0.000000 9.660917\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.947665 0.947665 0.235428 Dy\n0.052335 0.052335 0.764572 Dy\n0.189193 0.189193 0.160312 Gd\n0.810807 0.810807 0.839688 Gd\n0.091057 0.091057 0.294232 N\n0.908943 0.908943 0.705768 N\n0.609480 0.609480 0.441542 Nd\n0.390520 0.390520 0.558458 Nd\n0.459869 0.459869 0.356083 O\n0.540131 0.540131 0.643917 O\n0.365925 0.365925 0.035503 S\n0.634075 0.634075 0.964497 S\n0.783843 0.783843 0.341922 Se\n0.216157 0.216157 0.658078 Se\n",
"nsites": 14,
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"elements": [
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"density": 6.787084561076354,
"density_atomic": 0.04728901262392224,
"volume": 296.051856936378,
"volume_molar": 12.734756819501792,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.411950386343183,
"spacegroup": 12
},
{
"id": "oqmd-1558176",
"created_at": "2022-09-04T15:55:41.950101Z",
"updated_at": "2022-09-04T15:55:41.950125Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.682999 -1.959389 0.000000\n7.682999 1.959389 0.000000\n-1.562203 0.000000 9.724921\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198431 0.198431 0.173199 Gd\n0.801569 0.801569 0.826801 Gd\n0.952469 0.952469 0.242109 Ho\n0.047531 0.047531 0.757891 Ho\n0.097264 0.097264 0.306184 N\n0.902736 0.902736 0.693816 N\n0.614677 0.614677 0.448254 Nd\n0.385323 0.385323 0.551746 Nd\n0.461886 0.461886 0.356975 O\n0.538114 0.538114 0.643025 O\n0.786973 0.786973 0.340713 S\n0.213027 0.213027 0.659287 S\n0.371877 0.371877 0.030632 Se\n0.628123 0.628123 0.969368 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
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"S",
"Se"
],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 6.890084603964946,
"density_atomic": 0.0478145987611814,
"volume": 292.797604972605,
"volume_molar": 12.594774223827878,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4330188108669923,
"spacegroup": 12
},
{
"id": "oqmd-1558190",
"created_at": "2022-09-04T15:55:41.979847Z",
"updated_at": "2022-09-04T15:55:41.979870Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.628521 -1.973203 0.000000\n7.628521 1.973203 0.000000\n-0.719998 0.000000 9.537404\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.212260 0.212260 0.184208 Dy\n0.787740 0.787740 0.815792 Dy\n0.614624 0.614624 0.453762 Gd\n0.385376 0.385376 0.546238 Gd\n0.109860 0.109860 0.324574 N\n0.890140 0.890140 0.675426 N\n0.967753 0.967753 0.225128 Nd\n0.032247 0.032247 0.774872 Nd\n0.470060 0.470060 0.355722 O\n0.529940 0.529940 0.644278 O\n0.793203 0.793203 0.341996 S\n0.206797 0.206797 0.658004 S\n0.374883 0.374883 0.001837 Se\n0.625117 0.625117 0.998163 Se\n",
"nsites": 14,
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"elements": [
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"O",
"S",
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"density": 6.998077717154164,
"density_atomic": 0.04875910746826029,
"volume": 287.1258463685639,
"volume_molar": 12.350801876183048,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4436312020574684,
"spacegroup": 12
},
{
"id": "oqmd-1558417",
"created_at": "2022-09-04T15:55:42.043272Z",
"updated_at": "2022-09-04T15:55:42.043299Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.766510 -1.934223 0.000000\n7.766510 1.934223 0.000000\n-1.401411 0.000000 9.483883\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.194504 0.194504 0.166818 Dy\n0.805496 0.805496 0.833182 Dy\n0.950722 0.950722 0.231695 Gd\n0.049278 0.049278 0.768305 Gd\n0.095488 0.095488 0.303269 N\n0.904512 0.904512 0.696731 N\n0.462206 0.462206 0.359006 O\n0.537794 0.537794 0.640994 O\n0.366393 0.366393 0.026714 S\n0.633607 0.633607 0.973286 S\n0.785715 0.785715 0.348341 Se\n0.214285 0.214285 0.651659 Se\n0.607755 0.607755 0.441828 Tb\n0.392245 0.392245 0.558172 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.2229810803687435,
"density_atomic": 0.049133692495020094,
"volume": 284.9368587842031,
"volume_molar": 12.256641937933669,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"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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"Nd",
"O",
"S",
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],
"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-1558217",
"created_at": "2022-09-04T15:55:42.063067Z",
"updated_at": "2022-09-04T15:55:42.063092Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.688671 -1.963432 0.000000\n7.688671 1.963432 0.000000\n-1.419148 0.000000 9.673069\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.953828 0.953828 0.235626 Gd\n0.046172 0.046172 0.764374 Gd\n0.200710 0.200710 0.176711 Ho\n0.799290 0.799290 0.823289 Ho\n0.099775 0.099775 0.306879 N\n0.900225 0.900225 0.693121 N\n0.614841 0.614841 0.448379 Nd\n0.385159 0.385159 0.551621 Nd\n0.462720 0.462720 0.355788 O\n0.537280 0.537280 0.644212 O\n0.786808 0.786808 0.338958 S\n0.213192 0.213192 0.661042 S\n0.368611 0.368611 0.022643 Se\n0.631389 0.631389 0.977357 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
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"formation_energy": -2.436097881581278,
"spacegroup": 12
},
{
"id": "oqmd-1558043",
"created_at": "2022-09-04T15:55:41.363814Z",
"updated_at": "2022-09-04T15:55:41.363849Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.705702 -1.970554 0.000000\n7.705702 1.970554 0.000000\n-1.450822 0.000000 9.718442\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953451 0.953451 0.237274 Gd\n0.046549 0.046549 0.762726 Gd\n0.099250 0.099250 0.308032 N\n0.900750 0.900750 0.691968 N\n0.614608 0.614608 0.448713 Nd\n0.385392 0.385392 0.551287 Nd\n0.462616 0.462616 0.356407 O\n0.537384 0.537384 0.643593 O\n0.787053 0.787053 0.341094 S\n0.212947 0.212947 0.658906 S\n0.370071 0.370071 0.024123 Se\n0.629929 0.629929 0.975877 Se\n0.200490 0.200490 0.176441 Tb\n0.799510 0.799510 0.823559 Tb\n",
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"elements": [
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"density": 6.767843540916449,
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"volume": 295.1394020068545,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.337535720343184,
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},
{
"id": "oqmd-1558013",
"created_at": "2022-09-04T15:55:42.292028Z",
"updated_at": "2022-09-04T15:55:42.292056Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.842094 -1.936668 0.000000\n7.842094 1.936668 0.000000\n-1.630282 0.000000 9.588388\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.948340 0.948340 0.232715 Dy\n0.051660 0.051660 0.767285 Dy\n0.190284 0.190284 0.160855 Ho\n0.809716 0.809716 0.839145 Ho\n0.092088 0.092088 0.291586 N\n0.907912 0.907912 0.708414 N\n0.609941 0.609941 0.440651 Nd\n0.390059 0.390059 0.559349 Nd\n0.460255 0.460255 0.355150 O\n0.539745 0.539745 0.644850 O\n0.363866 0.363866 0.032659 S\n0.636134 0.636134 0.967341 S\n0.783894 0.783894 0.339708 Se\n0.216106 0.216106 0.660292 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
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"formation_energy": -2.4197860236050874,
"spacegroup": 12
},
{
"id": "oqmd-1558135",
"created_at": "2022-09-04T15:55:42.090106Z",
"updated_at": "2022-09-04T15:55:42.090124Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.623708 -1.953631 0.000000\n7.623708 1.953631 0.000000\n-1.630031 0.000000 9.742101\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.610137 0.610137 0.447942 Dy\n0.389863 0.389863 0.552058 Dy\n0.948824 0.948824 0.251422 Ho\n0.051176 0.051176 0.748578 Ho\n0.094252 0.094252 0.318364 N\n0.905748 0.905748 0.681636 N\n0.196239 0.196239 0.177111 Nd\n0.803761 0.803761 0.822889 Nd\n0.460266 0.460266 0.365577 O\n0.539734 0.539734 0.634423 O\n0.786132 0.786132 0.354433 S\n0.213868 0.213868 0.645567 S\n0.374895 0.374895 0.037493 Se\n0.625105 0.625105 0.962507 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.011936628363926,
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"volume": 290.19599550682733,
"volume_molar": 12.482865235217442,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4439304678908016,
"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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"Nd",
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"S",
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],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 7.100739596382526,
"density_atomic": 0.04927646527203529,
"volume": 284.1112876646428,
"volume_molar": 12.221129755866649,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.446208898009849,
"spacegroup": 12
},
{
"id": "oqmd-1558144",
"created_at": "2022-09-04T15:55:41.452249Z",
"updated_at": "2022-09-04T15:55:41.452267Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.683426 -1.961848 0.000000\n7.683426 1.961848 0.000000\n-1.467403 0.000000 9.689560\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799925 0.799925 0.324036 Dy\n0.200075 0.200075 0.675964 Dy\n0.901034 0.901034 0.193273 N\n0.098966 0.098966 0.806727 N\n0.385249 0.385249 0.051579 Nd\n0.614751 0.614751 0.948421 Nd\n0.537600 0.537600 0.144213 O\n0.462400 0.462400 0.855787 O\n0.213037 0.213037 0.160075 S\n0.786963 0.786963 0.839925 S\n0.630195 0.630195 0.475316 Se\n0.369805 0.369805 0.524684 Se\n0.046601 0.046601 0.262530 Tb\n0.953399 0.953399 0.737470 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.89759447397903,
"density_atomic": 0.047926279339329504,
"volume": 292.11531111932675,
"volume_molar": 12.565425155084135,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.343392694509851,
"spacegroup": 12
}
]
}