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{
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"results": [
{
"id": "oqmd-1558073",
"created_at": "2022-09-04T15:55:41.427888Z",
"updated_at": "2022-09-04T15:55:41.427910Z",
"structure_string": "Nd2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.828991 -1.969876 0.000000\n7.828991 1.969876 0.000000\n-1.638934 0.000000 9.870087\nGd Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.393350 0.393350 0.055967 Gd\n0.606650 0.606650 0.944033 Gd\n0.051384 0.051384 0.249544 Ho\n0.948616 0.948616 0.750456 Ho\n0.909398 0.909398 0.188493 N\n0.090602 0.090602 0.811507 N\n0.810334 0.810334 0.329682 Nd\n0.189666 0.189666 0.670318 Nd\n0.539736 0.539736 0.135445 O\n0.460264 0.460264 0.864555 O\n0.215396 0.215396 0.145444 Se\n0.627163 0.627163 0.458278 Se\n0.372837 0.372837 0.541722 Se\n0.784604 0.784604 0.854556 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"Nd",
"O",
"Se"
],
"chemical_system": "Gd-Ho-N-Nd-O-Se",
"density": 7.138262129539163,
"density_atomic": 0.04598671383435518,
"volume": 304.4357561714065,
"volume_molar": 13.095392686008921,
"formula_full": "Nd2 Gd2 Ho2 Se4 N2 O2",
"formula_reduced": "NdGdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3426225288650846,
"spacegroup": 12
},
{
"id": "oqmd-1499834",
"created_at": "2022-09-04T15:53:25.559817Z",
"updated_at": "2022-09-04T15:53:25.559845Z",
"structure_string": "Sm2 Y2 C1 I2 Br2 Cl1\n1.0\n9.336680 -1.936243 0.000000\n9.336680 1.936243 0.000000\n-1.646231 0.000000 7.953382\nBr C Cl I Sm Y\n2 1 1 2 2 2\ndirect\n0.153538 0.153538 0.345030 Br\n0.846462 0.846462 0.654970 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.829133 0.829133 0.200429 I\n0.170867 0.170867 0.799571 I\n0.635312 0.635312 0.072231 Sm\n0.364688 0.364688 0.927769 Sm\n0.998227 0.998227 0.204327 Y\n0.001773 0.001773 0.795673 Y\n",
"nsites": 10,
"nelements": 6,
"elements": [
"Br",
"C",
"Cl",
"I",
"Sm",
"Y"
],
"chemical_system": "Br-C-Cl-I-Sm-Y",
"density": 5.425798192018427,
"density_atomic": 0.03477489499444019,
"volume": 287.56377270438344,
"volume_molar": 17.31749516702443,
"formula_full": "Sm2 Y2 C1 I2 Br2 Cl1",
"formula_reduced": "Sm2Y2CI2Br2Cl",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.4916315157807432,
"spacegroup": 12
},
{
"id": "oqmd-1557959",
"created_at": "2022-09-04T15:55:41.450207Z",
"updated_at": "2022-09-04T15:55:41.450235Z",
"structure_string": "Tb4 Dy2 Se2 S2 N2 O2\n1.0\n7.728031 -1.927359 0.000000\n7.728031 1.927359 0.000000\n-1.484008 0.000000 9.469742\nDy N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.393308 0.393308 0.058884 Dy\n0.606692 0.606692 0.941116 Dy\n0.906528 0.906528 0.196571 N\n0.093472 0.093472 0.803429 N\n0.539122 0.539122 0.139401 O\n0.460878 0.460878 0.860599 O\n0.632989 0.632989 0.469951 S\n0.367011 0.367011 0.530049 S\n0.214894 0.214894 0.149428 Se\n0.785106 0.785106 0.850572 Se\n0.051390 0.051390 0.265716 Tb\n0.807054 0.807054 0.333509 Tb\n0.192946 0.192946 0.666491 Tb\n0.948610 0.948610 0.734284 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Dy",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-N-O-S-Se-Tb",
"density": 7.315398815207151,
"density_atomic": 0.04962818830090816,
"volume": 282.0977448363516,
"volume_molar": 12.134516624879089,
"formula_full": "Tb4 Dy2 Se2 S2 N2 O2",
"formula_reduced": "Tb2DySeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.269968490890804,
"spacegroup": 12
},
{
"id": "oqmd-1499903",
"created_at": "2022-09-04T15:53:25.601005Z",
"updated_at": "2022-09-04T15:53:25.601028Z",
"structure_string": "Sm2 Ho2 C1 I2 Br1 Cl2\n1.0\n8.896231 -1.950685 0.000000\n8.896231 1.950685 0.000000\n-1.616555 0.000000 8.230952\nBr C Cl Ho I Sm\n1 1 2 2 2 2\ndirect\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.000000 C\n0.828141 0.828141 0.139796 Cl\n0.171859 0.171859 0.860204 Cl\n0.636622 0.636622 0.064296 Ho\n0.363378 0.363378 0.935704 Ho\n0.171530 0.171530 0.343684 I\n0.828470 0.828470 0.656316 I\n0.994948 0.994948 0.201153 Sm\n0.005052 0.005052 0.798847 Sm\n",
"nsites": 10,
"nelements": 6,
"elements": [
"Br",
"C",
"Cl",
"Ho",
"I",
"Sm"
],
"chemical_system": "Br-C-Cl-Ho-I-Sm",
"density": 6.087090152160949,
"density_atomic": 0.03500473059507307,
"volume": 285.6756738304252,
"volume_molar": 17.20379119514669,
"formula_full": "Sm2 Ho2 C1 I2 Br1 Cl2",
"formula_reduced": "Sm2Ho2CI2BrCl2",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.5384772342677373,
"spacegroup": 12
},
{
"id": "oqmd-1558556",
"created_at": "2022-09-04T15:55:42.512636Z",
"updated_at": "2022-09-04T15:55:42.512663Z",
"structure_string": "Tb2 Sm2 Y2 Se4 N2 O2\n1.0\n7.808981 -1.964525 0.000000\n7.808981 1.964525 0.000000\n-1.299537 0.000000 9.689951\nN O Se Sm Tb Y\n2 2 4 2 2 2\ndirect\n0.097001 0.097001 0.306460 N\n0.902999 0.902999 0.693540 N\n0.463559 0.463559 0.357343 O\n0.536441 0.536441 0.642657 O\n0.370246 0.370246 0.027506 Se\n0.787333 0.787333 0.345173 Se\n0.212667 0.212667 0.654827 Se\n0.629754 0.629754 0.972494 Se\n0.610043 0.610043 0.444876 Sm\n0.389957 0.389957 0.555124 Sm\n0.955215 0.955215 0.237404 Tb\n0.044785 0.044785 0.762596 Tb\n0.196523 0.196523 0.171503 Y\n0.803477 0.803477 0.828497 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"Se",
"Sm",
"Tb",
"Y"
],
"chemical_system": "N-O-Se-Sm-Tb-Y",
"density": 6.5472681887162505,
"density_atomic": 0.04708954922108871,
"volume": 297.30588276114145,
"volume_molar": 12.78869910545465,
"formula_full": "Tb2 Sm2 Y2 Se4 N2 O2",
"formula_reduced": "TbSmYSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.261385161912704,
"spacegroup": 12
},
{
"id": "oqmd-1499664",
"created_at": "2022-09-04T15:53:25.569238Z",
"updated_at": "2022-09-04T15:53:25.569266Z",
"structure_string": "Pr2 Ho2 C1 I1 Br2 Cl2\n1.0\n8.997189 -1.936886 0.000000\n8.997189 1.936886 0.000000\n-2.102870 0.000000 8.194593\nBr C Cl Ho I Pr\n2 1 2 2 1 2\ndirect\n0.834697 0.834697 0.180562 Br\n0.165303 0.165303 0.819438 Br\n0.500000 0.500000 0.000000 C\n0.154881 0.154881 0.331846 Cl\n0.845119 0.845119 0.668154 Cl\n0.000631 0.000631 0.191968 Ho\n0.999369 0.999369 0.808032 Ho\n0.500000 0.500000 0.500000 I\n0.645092 0.645092 0.080196 Pr\n0.354908 0.354908 0.919804 Pr\n",
"nsites": 10,
"nelements": 6,
"elements": [
"Br",
"C",
"Cl",
"Ho",
"I",
"Pr"
],
"chemical_system": "Br-C-Cl-Ho-I-Pr",
"density": 5.705383872275954,
"density_atomic": 0.035013192564087706,
"volume": 285.6066318915685,
"volume_molar": 17.199633392405303,
"formula_full": "Pr2 Ho2 C1 I1 Br2 Cl2",
"formula_reduced": "Pr2Ho2CI(BrCl)2",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.6265390627664893,
"spacegroup": 12
},
{
"id": "oqmd-1557953",
"created_at": "2022-09-04T15:55:41.506063Z",
"updated_at": "2022-09-04T15:55:41.506082Z",
"structure_string": "Tb4 Dy2 Se2 S2 N2 O2\n1.0\n7.578071 -1.940919 0.000000\n7.578071 1.940919 0.000000\n-1.396353 0.000000 9.548728\nDy N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.388702 0.388702 0.051843 Dy\n0.611298 0.611298 0.948157 Dy\n0.901892 0.901892 0.184008 N\n0.098108 0.098108 0.815992 N\n0.537896 0.537896 0.138122 O\n0.462104 0.462104 0.861878 O\n0.213326 0.213326 0.149905 S\n0.786674 0.786674 0.850095 S\n0.628482 0.628482 0.475716 Se\n0.371518 0.371518 0.524284 Se\n0.047955 0.047955 0.259359 Tb\n0.799386 0.799386 0.319026 Tb\n0.200614 0.200614 0.680974 Tb\n0.952045 0.952045 0.740641 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
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"Tb"
],
"chemical_system": "Dy-N-O-S-Se-Tb",
"density": 7.346762870759082,
"density_atomic": 0.04984096429496274,
"volume": 280.89344173092036,
"volume_molar": 12.08271317617472,
"formula_full": "Tb4 Dy2 Se2 S2 N2 O2",
"formula_reduced": "Tb2DySeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2906132166050903,
"spacegroup": 12
},
{
"id": "oqmd-1499882",
"created_at": "2022-09-04T15:53:25.595068Z",
"updated_at": "2022-09-04T15:53:25.595096Z",
"structure_string": "Nd2 Sm2 C1 I2 Br2 Cl1\n1.0\n9.318408 -1.972790 0.000000\n9.318408 1.972790 0.000000\n-1.690416 0.000000 8.094601\nBr C Cl I Nd Sm\n2 1 1 2 2 2\ndirect\n0.831218 0.831218 0.178080 Br\n0.168782 0.168782 0.821920 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.164609 0.164609 0.368108 I\n0.835391 0.835391 0.631892 I\n0.638189 0.638189 0.070069 Nd\n0.361811 0.361811 0.929931 Nd\n0.996751 0.996751 0.207428 Sm\n0.003249 0.003249 0.792572 Sm\n",
"nsites": 10,
"nelements": 6,
"elements": [
"Br",
"C",
"Cl",
"I",
"Nd",
"Sm"
],
"chemical_system": "Br-C-Cl-I-Nd-Sm",
"density": 5.8601413284032065,
"density_atomic": 0.03360098264917325,
"volume": 297.61034385243045,
"volume_molar": 17.922513823113366,
"formula_full": "Nd2 Sm2 C1 I2 Br2 Cl1",
"formula_reduced": "Nd2Sm2CI2Br2Cl",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.4848561417807424,
"spacegroup": 12
},
{
"id": "oqmd-1557822",
"created_at": "2022-09-04T15:55:41.585958Z",
"updated_at": "2022-09-04T15:55:41.585986Z",
"structure_string": "Tb2 Sm2 Ho2 Se4 N2 O2\n1.0\n7.773405 -1.969208 0.000000\n7.773405 1.969208 0.000000\n-1.080960 0.000000 9.627703\nHo N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.393237 0.393237 0.054694 Ho\n0.606763 0.606763 0.945306 Ho\n0.900916 0.900916 0.182849 N\n0.099084 0.099084 0.817151 N\n0.534979 0.534979 0.137814 O\n0.465021 0.465021 0.862186 O\n0.212307 0.212307 0.146845 Se\n0.628904 0.628904 0.480806 Se\n0.371096 0.371096 0.519194 Se\n0.787693 0.787693 0.853155 Se\n0.043514 0.043514 0.265620 Sm\n0.956486 0.956486 0.734380 Sm\n0.800288 0.800288 0.320980 Tb\n0.199712 0.199712 0.679020 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"Se",
"Sm",
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],
"chemical_system": "Ho-N-O-Se-Sm-Tb",
"density": 7.460612981604499,
"density_atomic": 0.04749768781788594,
"volume": 294.7511898616694,
"volume_molar": 12.678808246603273,
"formula_full": "Tb2 Sm2 Ho2 Se4 N2 O2",
"formula_reduced": "TbSmHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.26936814310318,
"spacegroup": 12
},
{
"id": "oqmd-1557826",
"created_at": "2022-09-04T15:55:41.611842Z",
"updated_at": "2022-09-04T15:55:41.611871Z",
"structure_string": "Tb2 Dy2 Er2 Se4 N2 O2\n1.0\n7.727598 -1.946055 0.000000\n7.727598 1.946055 0.000000\n-1.182909 0.000000 9.570325\nDy Er N O Se Tb\n2 2 2 2 4 2\ndirect\n0.197500 0.197500 0.175897 Dy\n0.802500 0.802500 0.824103 Dy\n0.607143 0.607143 0.444351 Er\n0.392857 0.392857 0.555649 Er\n0.097588 0.097588 0.314690 N\n0.902412 0.902412 0.685310 N\n0.463892 0.463892 0.362558 O\n0.536108 0.536108 0.637442 O\n0.371593 0.371593 0.025505 Se\n0.787174 0.787174 0.352038 Se\n0.212826 0.212826 0.647962 Se\n0.628407 0.628407 0.974495 Se\n0.955220 0.955220 0.239509 Tb\n0.044780 0.044780 0.760491 Tb\n",
"nsites": 14,
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"elements": [
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"O",
"Se",
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],
"chemical_system": "Dy-Er-N-O-Se-Tb",
"density": 7.806591969655743,
"density_atomic": 0.04863755355741152,
"volume": 287.8434250085065,
"volume_molar": 12.381668730298074,
"formula_full": "Tb2 Dy2 Er2 Se4 N2 O2",
"formula_reduced": "TbDyErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2915381382222284,
"spacegroup": 12
},
{
"id": "oqmd-1499796",
"created_at": "2022-09-04T15:53:25.609697Z",
"updated_at": "2022-09-04T15:53:25.609730Z",
"structure_string": "Sm2 Sc2 C1 I1 Br2 Cl2\n1.0\n8.760610 -1.880870 0.000000\n8.760610 1.880870 0.000000\n-2.057952 0.000000 7.799469\nBr C Cl I Sc Sm\n2 1 2 1 2 2\ndirect\n0.835511 0.835511 0.179648 Br\n0.164489 0.164489 0.820352 Br\n0.500000 0.500000 0.000000 C\n0.153677 0.153677 0.339232 Cl\n0.846323 0.846323 0.660768 Cl\n0.500000 0.500000 0.500000 I\n0.000913 0.000913 0.185258 Sc\n0.999087 0.999087 0.814742 Sc\n0.643171 0.643171 0.084202 Sm\n0.356829 0.356829 0.915798 Sm\n",
"nsites": 10,
"nelements": 6,
"elements": [
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"C",
"Cl",
"I",
"Sc",
"Sm"
],
"chemical_system": "Br-C-Cl-I-Sc-Sm",
"density": 4.911607434943779,
"density_atomic": 0.03890557528894563,
"volume": 257.03256990114045,
"volume_molar": 15.478863158492072,
"formula_full": "Sm2 Sc2 C1 I1 Br2 Cl2",
"formula_reduced": "Sm2Sc2CI(BrCl)2",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.5927370910998229,
"spacegroup": 12
},
{
"id": "oqmd-1557998",
"created_at": "2022-09-04T15:55:41.067641Z",
"updated_at": "2022-09-04T15:55:41.067653Z",
"structure_string": "Tb2 Nd2 Dy2 S4 N2 O2\n1.0\n7.620863 -1.938825 0.000000\n7.620863 1.938825 0.000000\n-1.678765 0.000000 9.571038\nDy N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.610215 0.610215 0.446875 Dy\n0.389785 0.389785 0.553125 Dy\n0.093713 0.093713 0.312673 N\n0.906287 0.906287 0.687327 N\n0.195260 0.195260 0.170181 Nd\n0.804740 0.804740 0.829819 Nd\n0.459627 0.459627 0.363508 O\n0.540373 0.540373 0.636492 O\n0.370301 0.370301 0.035982 S\n0.785332 0.785332 0.353830 S\n0.214668 0.214668 0.646170 S\n0.629699 0.629699 0.964018 S\n0.946296 0.946296 0.242390 Tb\n0.053704 0.053704 0.757610 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Dy",
"N",
"Nd",
"O",
"S",
"Tb"
],
"chemical_system": "Dy-N-Nd-O-S-Tb",
"density": 6.5732910481849895,
"density_atomic": 0.04949897821031372,
"volume": 282.8341211512711,
"volume_molar": 12.166192066456057,
"formula_full": "Tb2 Nd2 Dy2 S4 N2 O2",
"formula_reduced": "TbNdDyS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.423513262226044,
"spacegroup": 12
}
]
}