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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=100",
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"results": [
{
"id": "oqmd-1558067",
"created_at": "2022-09-04T15:55:41.377816Z",
"updated_at": "2022-09-04T15:55:41.377841Z",
"structure_string": "Nd2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.816172 -1.986688 0.000000\n7.816172 1.986688 0.000000\n-0.983776 0.000000 9.669549\nGd Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.200799 0.200799 0.180732 Gd\n0.799201 0.799201 0.819268 Gd\n0.606462 0.606462 0.445862 Ho\n0.393538 0.393538 0.554138 Ho\n0.099990 0.099990 0.320339 N\n0.900010 0.900010 0.679661 N\n0.957270 0.957270 0.232751 Nd\n0.042730 0.042730 0.767249 Nd\n0.465450 0.465450 0.362960 O\n0.534550 0.534550 0.637040 O\n0.370922 0.370922 0.015846 Se\n0.787627 0.787627 0.354185 Se\n0.212373 0.212373 0.645815 Se\n0.629078 0.629078 0.984154 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": 7.236493239862089,
"density_atomic": 0.04661954657124194,
"volume": 300.3032210664215,
"volume_molar": 12.917630485309912,
"formula_full": "Nd2 Gd2 Ho2 Se4 N2 O2",
"formula_reduced": "NdGdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.346561076007941,
"spacegroup": 12
},
{
"id": "oqmd-1558620",
"created_at": "2022-09-04T15:55:41.410645Z",
"updated_at": "2022-09-04T15:55:41.410658Z",
"structure_string": "Tb2 Dy2 Y2 Se4 N2 O2\n1.0\n7.759271 -1.950694 0.000000\n7.759271 1.950694 0.000000\n-1.230584 0.000000 9.596850\nDy N O Se Tb Y\n2 2 2 4 2 2\ndirect\n0.197065 0.197065 0.174442 Dy\n0.802935 0.802935 0.825558 Dy\n0.097837 0.097837 0.311649 N\n0.902163 0.902163 0.688351 N\n0.463752 0.463752 0.360489 O\n0.536248 0.536248 0.639511 O\n0.371384 0.371384 0.026009 Se\n0.787331 0.787331 0.349882 Se\n0.212669 0.212669 0.650118 Se\n0.628616 0.628616 0.973991 Se\n0.955470 0.955470 0.238924 Tb\n0.044530 0.044530 0.761076 Tb\n0.608552 0.608552 0.444714 Y\n0.391448 0.391448 0.555286 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Dy",
"N",
"O",
"Se",
"Tb",
"Y"
],
"chemical_system": "Dy-N-O-Se-Tb-Y",
"density": 6.839090156499647,
"density_atomic": 0.04819025948350819,
"volume": 290.5151404049011,
"volume_molar": 12.496593345924843,
"formula_full": "Tb2 Dy2 Y2 Se4 N2 O2",
"formula_reduced": "TbDyYSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.277194079650801,
"spacegroup": 12
},
{
"id": "oqmd-1558082",
"created_at": "2022-09-04T15:55:41.442607Z",
"updated_at": "2022-09-04T15:55:41.442629Z",
"structure_string": "Tb2 Nd2 Er2 Se4 N2 O2\n1.0\n7.796684 -1.962723 0.000000\n7.796684 1.962723 0.000000\n-1.582991 0.000000 9.829562\nEr N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.949736 0.949736 0.251294 Er\n0.050264 0.050264 0.748706 Er\n0.091538 0.091538 0.312883 N\n0.908462 0.908462 0.687117 N\n0.190468 0.190468 0.169852 Nd\n0.809532 0.809532 0.830148 Nd\n0.460949 0.460949 0.364990 O\n0.539051 0.539051 0.635010 O\n0.375002 0.375002 0.041797 Se\n0.785532 0.785532 0.355020 Se\n0.214468 0.214468 0.644980 Se\n0.624998 0.624998 0.958203 Se\n0.606661 0.606661 0.444370 Tb\n0.393339 0.393339 0.555630 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Er",
"N",
"Nd",
"O",
"Se",
"Tb"
],
"chemical_system": "Er-N-Nd-O-Se-Tb",
"density": 7.267824688323261,
"density_atomic": 0.04653662990856605,
"volume": 300.83828647469386,
"volume_molar": 12.94064647962722,
"formula_full": "Tb2 Nd2 Er2 Se4 N2 O2",
"formula_reduced": "TbNdErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.252258708698418,
"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-1500301",
"created_at": "2022-09-04T15:53:26.569045Z",
"updated_at": "2022-09-04T15:53:26.569077Z",
"structure_string": "Ho2 Sc2 C1 I2 Br2 Cl1\n1.0\n9.945205 -1.865719 0.000000\n9.945205 1.865719 0.000000\n-1.530356 0.000000 7.668297\nBr C Cl Ho I Sc\n2 1 1 2 2 2\ndirect\n0.147344 0.147344 0.320503 Br\n0.852656 0.852656 0.679497 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.999686 0.999686 0.209062 Ho\n0.000314 0.000314 0.790938 Ho\n0.841658 0.841658 0.178855 I\n0.158342 0.158342 0.821145 I\n0.614356 0.614356 0.062553 Sc\n0.385644 0.385644 0.937447 Sc\n",
"nsites": 10,
"nelements": 6,
"elements": [
"Br",
"C",
"Cl",
"Ho",
"I",
"Sc"
],
"chemical_system": "Br-C-Cl-Ho-I-Sc",
"density": 5.140006779113813,
"density_atomic": 0.03514075638867772,
"volume": 284.56985641953855,
"volume_molar": 17.13719731411451,
"formula_full": "Ho2 Sc2 C1 I2 Br2 Cl1",
"formula_reduced": "Ho2Sc2CI2Br2Cl",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.4764939709474092,
"spacegroup": 12
},
{
"id": "oqmd-1500282",
"created_at": "2022-09-04T15:53:26.583148Z",
"updated_at": "2022-09-04T15:53:26.583174Z",
"structure_string": "Nd2 Sc2 C1 I2 Br1 Cl2\n1.0\n10.106067 -1.908001 0.000000\n10.106067 1.908001 0.000000\n-1.931931 0.000000 8.237933\nBr C Cl I Nd Sc\n1 1 2 2 2 2\ndirect\n0.500000 0.500000 0.000000 Br\n0.500000 0.500000 0.500000 C\n0.853682 0.853682 0.217931 Cl\n0.146318 0.146318 0.782069 Cl\n0.160322 0.160322 0.348790 I\n0.839678 0.839678 0.651210 I\n0.998863 0.998863 0.292840 Nd\n0.001137 0.001137 0.707160 Nd\n0.386158 0.386158 0.434064 Sc\n0.613842 0.613842 0.565936 Sc\n",
"nsites": 10,
"nelements": 6,
"elements": [
"Br",
"C",
"Cl",
"I",
"Nd",
"Sc"
],
"chemical_system": "Br-C-Cl-I-Nd-Sc",
"density": 4.155479212913593,
"density_atomic": 0.03147682921772142,
"volume": 317.6940069417796,
"volume_molar": 19.131980284118143,
"formula_full": "Nd2 Sc2 C1 I2 Br1 Cl2",
"formula_reduced": "Nd2Sc2CI2BrCl2",
"formula_anonymous": "ABC2D2E2F2",
"formation_energy": -1.526714517101071,
"spacegroup": 12
},
{
"id": "oqmd-1557862",
"created_at": "2022-09-04T15:55:41.075131Z",
"updated_at": "2022-09-04T15:55:41.075156Z",
"structure_string": "Tb2 Sm2 Er2 Se4 N2 O2\n1.0\n7.754286 -1.961958 0.000000\n7.754286 1.961958 0.000000\n-1.292937 0.000000 9.684272\nEr N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.606157 0.606157 0.445531 Er\n0.393843 0.393843 0.554469 Er\n0.096094 0.096094 0.317837 N\n0.903906 0.903906 0.682163 N\n0.463375 0.463375 0.364423 O\n0.536625 0.536625 0.635577 O\n0.374449 0.374449 0.029049 Se\n0.787513 0.787513 0.357292 Se\n0.212487 0.212487 0.642708 Se\n0.625551 0.625551 0.970951 Se\n0.196552 0.196552 0.175358 Sm\n0.803448 0.803448 0.824642 Sm\n0.954249 0.954249 0.243458 Tb\n0.045751 0.045751 0.756542 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Er",
"N",
"O",
"Se",
"Sm",
"Tb"
],
"chemical_system": "Er-N-O-Se-Sm-Tb",
"density": 7.489042056448262,
"density_atomic": 0.04751158731882484,
"volume": 294.6649604875015,
"volume_molar": 12.675099064968373,
"formula_full": "Tb2 Sm2 Er2 Se4 N2 O2",
"formula_reduced": "TbSmErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.2667825347698463,
"spacegroup": 12
},
{
"id": "oqmd-1558001",
"created_at": "2022-09-04T15:55:41.548639Z",
"updated_at": "2022-09-04T15:55:41.548655Z",
"structure_string": "Tb2 Gd2 Ho2 S4 N2 O2\n1.0\n7.578650 -1.915931 0.000000\n7.578650 1.915931 0.000000\n-1.566073 0.000000 9.405423\nGd Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.387602 0.387602 0.054822 Gd\n0.612398 0.612398 0.945178 Gd\n0.802030 0.802030 0.329501 Ho\n0.197970 0.197970 0.670499 Ho\n0.903356 0.903356 0.196768 N\n0.096644 0.096644 0.803232 N\n0.539442 0.539442 0.141025 O\n0.460558 0.460558 0.858975 O\n0.214944 0.214944 0.155135 S\n0.635583 0.635583 0.473264 S\n0.364417 0.364417 0.526736 S\n0.785056 0.785056 0.844865 S\n0.051449 0.051449 0.266906 Tb\n0.948551 0.948551 0.733094 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Ho",
"N",
"O",
"S",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Tb",
"density": 6.994383870598971,
"density_atomic": 0.05125638729076256,
"volume": 273.1366906641718,
"volume_molar": 11.74905427071586,
"formula_full": "Tb2 Gd2 Ho2 S4 N2 O2",
"formula_reduced": "TbGdHoS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.466151218535567,
"spacegroup": 12
},
{
"id": "oqmd-1558118",
"created_at": "2022-09-04T15:55:41.578466Z",
"updated_at": "2022-09-04T15:55:41.578493Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.816458 -1.966962 0.000000\n7.816458 1.966962 0.000000\n-1.616814 0.000000 9.848939\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.948719 0.948719 0.250614 Ho\n0.051281 0.051281 0.749386 Ho\n0.090718 0.090718 0.312631 N\n0.909282 0.909282 0.687369 N\n0.190275 0.190275 0.171309 Nd\n0.809725 0.809725 0.828691 Nd\n0.460400 0.460400 0.365257 O\n0.539600 0.539600 0.634743 O\n0.372889 0.372889 0.041428 Se\n0.784965 0.784965 0.356294 Se\n0.215035 0.215035 0.643706 Se\n0.627111 0.627111 0.958572 Se\n0.606064 0.606064 0.443897 Tb\n0.393936 0.393936 0.556103 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"Nd",
"O",
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],
"chemical_system": "Ho-N-Nd-O-Se-Tb",
"density": 7.194046771649861,
"density_atomic": 0.046227735948515286,
"volume": 302.848489391565,
"volume_molar": 13.027115943352651,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.252484884174609,
"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,
"nelements": 6,
"elements": [
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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-1558035",
"created_at": "2022-09-04T15:55:41.635177Z",
"updated_at": "2022-09-04T15:55:41.635198Z",
"structure_string": "Nd2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.840129 -1.974434 0.000000\n7.840129 1.974434 0.000000\n-1.591930 0.000000 9.870167\nDy Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.949294 0.949294 0.249320 Dy\n0.050706 0.050706 0.750680 Dy\n0.606753 0.606753 0.444281 Gd\n0.393247 0.393247 0.555719 Gd\n0.091484 0.091484 0.312113 N\n0.908516 0.908516 0.687887 N\n0.190760 0.190760 0.170866 Nd\n0.809240 0.809240 0.829134 Nd\n0.460845 0.460845 0.364690 O\n0.539155 0.539155 0.635310 O\n0.373084 0.373084 0.040017 Se\n0.784953 0.784953 0.354697 Se\n0.215047 0.215047 0.645303 Se\n0.626916 0.626916 0.959983 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"Se"
],
"chemical_system": "Dy-Gd-N-Nd-O-Se",
"density": 7.085194977578862,
"density_atomic": 0.04581500197224019,
"volume": 305.57676301056915,
"volume_molar": 13.14447342739149,
"formula_full": "Nd2 Gd2 Dy2 Se4 N2 O2",
"formula_reduced": "NdGdDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.341378356484132,
"spacegroup": 12
},
{
"id": "oqmd-1558020",
"created_at": "2022-09-04T15:55:41.723841Z",
"updated_at": "2022-09-04T15:55:41.723869Z",
"structure_string": "Nd2 Dy2 Er2 Se4 N2 O2\n1.0\n7.837789 -1.960987 0.000000\n7.837789 1.960987 0.000000\n-1.391638 0.000000 9.703008\nDy Er N Nd O Se\n2 2 2 2 2 4\ndirect\n0.044656 0.044656 0.263967 Dy\n0.955344 0.955344 0.736033 Dy\n0.805409 0.805409 0.330205 Er\n0.194591 0.194591 0.669795 Er\n0.903079 0.903079 0.198340 N\n0.096921 0.096921 0.801660 N\n0.388603 0.388603 0.055008 Nd\n0.611397 0.611397 0.944992 Nd\n0.536694 0.536694 0.145538 O\n0.463306 0.463306 0.854462 O\n0.213284 0.213284 0.160835 Se\n0.630879 0.630879 0.472746 Se\n0.369121 0.369121 0.527254 Se\n0.786716 0.786716 0.839165 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Dy-Er-N-Nd-O-Se",
"density": 7.370290189587014,
"density_atomic": 0.046937868966771414,
"volume": 298.2666300830781,
"volume_molar": 12.830025931222476,
"formula_full": "Nd2 Dy2 Er2 Se4 N2 O2",
"formula_reduced": "NdDyErSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}