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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=86",
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"results": [
{
"id": "oqmd-1558169",
"created_at": "2022-09-04T15:55:42.203090Z",
"updated_at": "2022-09-04T15:55:42.203102Z",
"structure_string": "Nd4 Dy2 Se2 S2 N2 O2\n1.0\n7.872325 -1.983889 0.000000\n7.872325 1.983889 0.000000\n-1.323767 0.000000 9.681197\nDy N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.394517 0.394517 0.055679 Dy\n0.605483 0.605483 0.944321 Dy\n0.904001 0.904001 0.186074 N\n0.095999 0.095999 0.813926 N\n0.048944 0.048944 0.267611 Nd\n0.803222 0.803222 0.329103 Nd\n0.196778 0.196778 0.670897 Nd\n0.951056 0.951056 0.732389 Nd\n0.536733 0.536733 0.136804 O\n0.463267 0.463267 0.863196 O\n0.630904 0.630904 0.474817 S\n0.369096 0.369096 0.525183 S\n0.212942 0.212942 0.143141 Se\n0.787058 0.787058 0.856859 Se\n",
"nsites": 14,
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"elements": [
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"Se"
],
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"density": 6.501782532214738,
"density_atomic": 0.04629654670870081,
"volume": 302.39836435508676,
"volume_molar": 13.007753683857851,
"formula_full": "Nd4 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558311",
"created_at": "2022-09-04T15:55:41.791242Z",
"updated_at": "2022-09-04T15:55:41.791260Z",
"structure_string": "Nd2 Gd2 Dy2 S4 N2 O2\n1.0\n7.647395 -1.946487 0.000000\n7.647395 1.946487 0.000000\n-1.341333 0.000000 9.461291\nDy Gd N Nd O S\n2 2 2 2 2 4\ndirect\n0.797067 0.797067 0.324071 Dy\n0.202933 0.202933 0.675929 Dy\n0.387737 0.387737 0.052840 Gd\n0.612263 0.612263 0.947160 Gd\n0.899183 0.899183 0.190516 N\n0.100817 0.100817 0.809484 N\n0.048337 0.048337 0.274905 Nd\n0.951663 0.951663 0.725095 Nd\n0.537011 0.537011 0.140862 O\n0.462989 0.462989 0.859138 O\n0.213358 0.213358 0.153018 S\n0.636632 0.636632 0.483756 S\n0.363368 0.363368 0.516244 S\n0.786642 0.786642 0.846982 S\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Gd",
"N",
"Nd",
"O",
"S"
],
"chemical_system": "Dy-Gd-N-Nd-O-S",
"density": 6.580631247679141,
"density_atomic": 0.04970300075163986,
"volume": 281.6731341827102,
"volume_molar": 12.116251873990345,
"formula_full": "Nd2 Gd2 Dy2 S4 N2 O2",
"formula_reduced": "NdGdDyS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.5160565283450915,
"spacegroup": 12
},
{
"id": "oqmd-1557928",
"created_at": "2022-09-04T15:55:41.833057Z",
"updated_at": "2022-09-04T15:55:41.833086Z",
"structure_string": "Tb2 Dy2 Ho2 S4 N2 O2\n1.0\n7.550044 -1.907512 0.000000\n7.550044 1.907512 0.000000\n-1.610885 0.000000 9.391481\nDy Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.388826 0.388826 0.054955 Dy\n0.611174 0.611174 0.945045 Dy\n0.052033 0.052033 0.262742 Ho\n0.947967 0.947967 0.737258 Ho\n0.904653 0.904653 0.193955 N\n0.095347 0.095347 0.806045 N\n0.539801 0.539801 0.139352 O\n0.460199 0.460199 0.860648 O\n0.214266 0.214266 0.151244 S\n0.632888 0.632888 0.468992 S\n0.367112 0.367112 0.531008 S\n0.785734 0.785734 0.848756 S\n0.802669 0.802669 0.329593 Tb\n0.197331 0.197331 0.670407 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Dy",
"Ho",
"N",
"O",
"S",
"Tb"
],
"chemical_system": "Dy-Ho-N-O-S-Tb",
"density": 7.126795855119296,
"density_atomic": 0.051754390032956524,
"volume": 270.5084533135253,
"volume_molar": 11.63599987588527,
"formula_full": "Tb2 Dy2 Ho2 S4 N2 O2",
"formula_reduced": "TbDyHoS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.474391414845091,
"spacegroup": 12
},
{
"id": "oqmd-1558321",
"created_at": "2022-09-04T15:55:41.811345Z",
"updated_at": "2022-09-04T15:55:41.811362Z",
"structure_string": "Dy4 Ho2 Se2 S2 N2 O2\n1.0\n7.547610 -1.930171 0.000000\n7.547610 1.930171 0.000000\n-1.414319 0.000000 9.511457\nDy Ho N O S Se\n4 2 2 2 2 2\ndirect\n0.048858 0.048858 0.258110 Dy\n0.799971 0.799971 0.319045 Dy\n0.200029 0.200029 0.680955 Dy\n0.951142 0.951142 0.741890 Dy\n0.389077 0.389077 0.053008 Ho\n0.610923 0.610923 0.946992 Ho\n0.902648 0.902648 0.184935 N\n0.097352 0.097352 0.815065 N\n0.538685 0.538685 0.137244 O\n0.461315 0.461315 0.862756 O\n0.213939 0.213939 0.149173 S\n0.786061 0.786061 0.850827 S\n0.629293 0.629293 0.474413 Se\n0.370707 0.370707 0.525587 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-O-S-Se",
"density": 7.5613547913264005,
"density_atomic": 0.05051795406727544,
"volume": 277.1291961142372,
"volume_molar": 11.920793055039868,
"formula_full": "Dy4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Dy2HoSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.487730326700326,
"spacegroup": 12
},
{
"id": "oqmd-1558093",
"created_at": "2022-09-04T15:55:41.836925Z",
"updated_at": "2022-09-04T15:55:41.836950Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.846595 -1.964717 0.000000\n7.846595 1.964717 0.000000\n-1.489242 0.000000 9.782448\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.046251 0.046251 0.258970 Ho\n0.953749 0.953749 0.741030 Ho\n0.904925 0.904925 0.198292 N\n0.095075 0.095075 0.801708 N\n0.388796 0.388796 0.055331 Nd\n0.611204 0.611204 0.944669 Nd\n0.537471 0.537471 0.143213 O\n0.462529 0.462529 0.856787 O\n0.213815 0.213815 0.158408 Se\n0.629131 0.629131 0.466723 Se\n0.370869 0.370869 0.533277 Se\n0.786185 0.786185 0.841592 Se\n0.807158 0.807158 0.332487 Tb\n0.192842 0.192842 0.667513 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Ho",
"N",
"Nd",
"O",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-Se-Tb",
"density": 7.223370395862918,
"density_atomic": 0.046416164631314046,
"volume": 301.6190611870393,
"volume_molar": 12.974231731195736,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2452508006031806,
"spacegroup": 12
},
{
"id": "oqmd-1558072",
"created_at": "2022-09-04T15:55:41.886901Z",
"updated_at": "2022-09-04T15:55:41.886926Z",
"structure_string": "Nd2 Sm2 Gd2 Se4 N2 O2\n1.0\n7.922159 -2.000594 0.000000\n7.922159 2.000594 0.000000\n-1.303252 0.000000 9.837821\nGd N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.196843 0.196843 0.172371 Gd\n0.803157 0.803157 0.827629 Gd\n0.098435 0.098435 0.307203 N\n0.901565 0.901565 0.692797 N\n0.610737 0.610737 0.446321 Nd\n0.389263 0.389263 0.553679 Nd\n0.464227 0.464227 0.356980 O\n0.535773 0.535773 0.643020 O\n0.370129 0.370129 0.023581 Se\n0.787215 0.787215 0.344323 Se\n0.212785 0.212785 0.655677 Se\n0.629871 0.629871 0.976419 Se\n0.955614 0.955614 0.234471 Sm\n0.044386 0.044386 0.765529 Sm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"Nd",
"O",
"Se",
"Sm"
],
"chemical_system": "Gd-N-Nd-O-Se-Sm",
"density": 6.813606279428159,
"density_atomic": 0.04489485851185177,
"volume": 311.8397175993805,
"volume_molar": 13.413876242443704,
"formula_full": "Nd2 Sm2 Gd2 Se4 N2 O2",
"formula_reduced": "NdSmGdSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3210612094603227,
"spacegroup": 12
},
{
"id": "oqmd-1558387",
"created_at": "2022-09-04T15:55:41.924950Z",
"updated_at": "2022-09-04T15:55:41.924979Z",
"structure_string": "Gd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.741028 -1.944858 0.000000\n7.741028 1.944858 0.000000\n-1.300456 0.000000 9.590326\nEr Gd Ho N O Se\n2 2 2 2 2 4\ndirect\n0.804201 0.804201 0.327133 Er\n0.195799 0.195799 0.672867 Er\n0.390799 0.390799 0.055518 Gd\n0.609201 0.609201 0.944482 Gd\n0.044819 0.044819 0.261627 Ho\n0.955181 0.955181 0.738373 Ho\n0.903052 0.903052 0.192566 N\n0.096948 0.096948 0.807434 N\n0.536443 0.536443 0.141517 O\n0.463557 0.463557 0.858483 O\n0.212861 0.212861 0.153996 Se\n0.629628 0.629628 0.473088 Se\n0.370372 0.370372 0.526912 Se\n0.787139 0.787139 0.846004 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"O",
"Se"
],
"chemical_system": "Er-Gd-Ho-N-O-Se",
"density": 7.790264674160928,
"density_atomic": 0.04848173281294106,
"volume": 288.7685564791329,
"volume_molar": 12.421463529852486,
"formula_full": "Gd2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "GdHoErSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558081",
"created_at": "2022-09-04T15:55:41.943419Z",
"updated_at": "2022-09-04T15:55:41.943437Z",
"structure_string": "Nd4 Gd2 Se2 S2 N2 O2\n1.0\n7.932455 -1.978717 0.000000\n7.932455 1.978717 0.000000\n-1.702054 0.000000 9.826215\nGd N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.946952 0.946952 0.238886 Gd\n0.053048 0.053048 0.761114 Gd\n0.090809 0.090809 0.299564 N\n0.909191 0.909191 0.700436 N\n0.189232 0.189232 0.160593 Nd\n0.608772 0.608772 0.442970 Nd\n0.391228 0.391228 0.557030 Nd\n0.810768 0.810768 0.839407 Nd\n0.460134 0.460134 0.358783 O\n0.539866 0.539866 0.641217 O\n0.367991 0.367991 0.039144 S\n0.632009 0.632009 0.960856 S\n0.784159 0.784159 0.347024 Se\n0.215841 0.215841 0.652976 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
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],
"chemical_system": "Gd-N-Nd-O-S-Se",
"density": 6.317362639861003,
"density_atomic": 0.04538585022123632,
"volume": 308.4661834416691,
"volume_molar": 13.268762688469376,
"formula_full": "Nd4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Nd2GdSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.377729271105088,
"spacegroup": 12
},
{
"id": "oqmd-1558059",
"created_at": "2022-09-04T15:55:41.971185Z",
"updated_at": "2022-09-04T15:55:41.971204Z",
"structure_string": "Tb2 Nd2 Gd2 Se4 N2 O2\n1.0\n7.860237 -1.987236 0.000000\n7.860237 1.987236 0.000000\n-1.414420 0.000000 9.840974\nGd N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.047688 0.047688 0.254189 Gd\n0.952312 0.952312 0.745811 Gd\n0.905657 0.905657 0.184305 N\n0.094343 0.094343 0.815695 N\n0.805395 0.805395 0.326622 Nd\n0.194605 0.194605 0.673378 Nd\n0.537296 0.537296 0.135452 O\n0.462704 0.462704 0.864548 O\n0.213403 0.213403 0.144272 Se\n0.625637 0.625637 0.466068 Se\n0.374363 0.374363 0.533932 Se\n0.786597 0.786597 0.855728 Se\n0.393329 0.393329 0.054732 Tb\n0.606671 0.606671 0.945268 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Gd-N-Nd-O-Se-Tb",
"density": 7.003756744247585,
"density_atomic": 0.045538096026209215,
"volume": 307.43490004374297,
"volume_molar": 13.224401732856787,
"formula_full": "Tb2 Nd2 Gd2 Se4 N2 O2",
"formula_reduced": "TbNdGdSe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1588904",
"created_at": "2022-09-04T15:56:53.048521Z",
"updated_at": "2022-09-04T15:56:53.048552Z",
"structure_string": "Y2 Er2 Tm2 Si2 Ni2 Ge4\n1.0\n5.203054 -2.086116 0.000000\n5.203054 2.086116 0.000000\n-4.755713 0.000000 12.821462\nEr Ge Ni Si Tm Y\n2 4 2 2 2 2\ndirect\n0.253197 0.253197 0.267648 Er\n0.746803 0.746803 0.732352 Er\n0.957885 0.957885 0.257957 Ge\n0.874535 0.874535 0.421397 Ge\n0.125465 0.125465 0.578603 Ge\n0.042115 0.042115 0.742043 Ge\n0.748179 0.748179 0.091919 Ni\n0.251821 0.251821 0.908081 Ni\n0.135103 0.135103 0.043459 Si\n0.864897 0.864897 0.956541 Si\n0.468747 0.468747 0.115750 Tm\n0.531253 0.531253 0.884250 Tm\n0.598307 0.598307 0.419707 Y\n0.401693 0.401693 0.580293 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ge",
"Ni",
"Si",
"Tm",
"Y"
],
"chemical_system": "Er-Ge-Ni-Si-Tm-Y",
"density": 7.841236149371611,
"density_atomic": 0.05029950407686511,
"volume": 278.3327640488447,
"volume_molar": 11.972564880157217,
"formula_full": "Y2 Er2 Tm2 Si2 Ni2 Ge4",
"formula_reduced": "YErTmSiNiGe2",
"formula_anonymous": "ABCDEF2",
"formation_energy": -0.8566411378571429,
"spacegroup": 12
},
{
"id": "oqmd-1557272",
"created_at": "2022-09-04T15:55:47.306900Z",
"updated_at": "2022-09-04T15:55:47.306921Z",
"structure_string": "Tb2 Nd2 Y2 S4 N2 O2\n1.0\n7.630889 -1.939946 0.000000\n7.630889 1.939946 0.000000\n-1.682072 0.000000 9.571018\nN Nd O S Tb Y\n2 2 2 4 2 2\ndirect\n0.093738 0.093738 0.311757 N\n0.906262 0.906262 0.688243 N\n0.195421 0.195421 0.169878 Nd\n0.804579 0.804579 0.830122 Nd\n0.459205 0.459205 0.362892 O\n0.540795 0.540795 0.637108 O\n0.370081 0.370081 0.035869 S\n0.785298 0.785298 0.353638 S\n0.214702 0.214702 0.646362 S\n0.629919 0.629919 0.964131 S\n0.946413 0.946413 0.242309 Tb\n0.053587 0.053587 0.757691 Tb\n0.610649 0.610649 0.446732 Y\n0.389351 0.389351 0.553268 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Tb",
"Y"
],
"chemical_system": "N-Nd-O-S-Tb-Y",
"density": 5.698354303093408,
"density_atomic": 0.04940548074215659,
"volume": 283.36937096240246,
"volume_molar": 12.18921599291603,
"formula_full": "Tb2 Nd2 Y2 S4 N2 O2",
"formula_reduced": "TbNdYS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.4120275112736635,
"spacegroup": 12
},
{
"id": "oqmd-1557318",
"created_at": "2022-09-04T15:55:46.036626Z",
"updated_at": "2022-09-04T15:55:46.036661Z",
"structure_string": "Tb2 Y4 Se2 S2 N2 O2\n1.0\n7.726340 -1.925927 0.000000\n7.726340 1.925927 0.000000\n-1.514634 0.000000 9.467089\nN O S Se Tb Y\n2 2 2 2 2 4\ndirect\n0.092986 0.092986 0.300532 N\n0.907014 0.907014 0.699468 N\n0.460489 0.460489 0.360106 O\n0.539511 0.539511 0.639894 O\n0.365779 0.365779 0.031618 S\n0.634221 0.634221 0.968382 S\n0.784822 0.784822 0.348689 Se\n0.215178 0.215178 0.651311 Se\n0.607020 0.607020 0.440305 Tb\n0.392980 0.392980 0.559695 Tb\n0.192801 0.192801 0.165298 Y\n0.948211 0.948211 0.234273 Y\n0.051789 0.051789 0.765727 Y\n0.807199 0.807199 0.834702 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-O-S-Se-Tb-Y",
"density": 5.631656986268076,
"density_atomic": 0.049689879424873205,
"volume": 281.7475140217796,
"volume_molar": 12.119451344423075,
"formula_full": "Tb2 Y4 Se2 S2 N2 O2",
"formula_reduced": "TbY2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.355477262128898,
"spacegroup": 12
}
]
}