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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=41",
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"results": [
{
"id": "oqmd-1558497",
"created_at": "2022-09-04T15:55:41.137968Z",
"updated_at": "2022-09-04T15:55:41.137994Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.624690 -1.949571 0.000000\n7.624690 1.949571 0.000000\n-1.394246 0.000000 9.606800\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.612508 0.612508 0.447906 Gd\n0.387492 0.387492 0.552094 Gd\n0.098827 0.098827 0.313207 N\n0.901173 0.901173 0.686793 N\n0.462568 0.462568 0.360443 O\n0.537432 0.537432 0.639557 O\n0.787027 0.787027 0.347124 S\n0.212973 0.212973 0.652876 S\n0.371207 0.371207 0.024898 Se\n0.628793 0.628793 0.975102 Se\n0.201043 0.201043 0.178801 Tb\n0.953099 0.953099 0.240152 Tb\n0.046901 0.046901 0.759848 Tb\n0.798957 0.798957 0.821199 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
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],
"chemical_system": "Gd-N-O-S-Se-Tb",
"density": 7.1644478406275836,
"density_atomic": 0.04901827720171758,
"volume": 285.60775284671666,
"volume_molar": 12.285500641358704,
"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
"formula_reduced": "Tb2GdSeSNO",
"formula_anonymous": "ABCDEF2",
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"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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"Nd",
"O",
"S",
"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-1557981",
"created_at": "2022-09-04T15:55:41.514635Z",
"updated_at": "2022-09-04T15:55:41.514648Z",
"structure_string": "Tb2 Gd2 Dy2 S4 N2 O2\n1.0\n7.583637 -1.920118 0.000000\n7.583637 1.920118 0.000000\n-1.558084 0.000000 9.430299\nDy Gd N O S Tb\n2 2 2 2 4 2\ndirect\n0.388998 0.388998 0.054529 Dy\n0.611002 0.611002 0.945471 Dy\n0.801623 0.801623 0.328366 Gd\n0.198377 0.198377 0.671634 Gd\n0.903966 0.903966 0.191954 N\n0.096034 0.096034 0.808046 N\n0.539305 0.539305 0.138830 O\n0.460695 0.460695 0.861170 O\n0.214096 0.214096 0.150101 S\n0.633237 0.633237 0.470521 S\n0.366763 0.366763 0.529479 S\n0.785904 0.785904 0.849899 S\n0.051697 0.051697 0.263737 Tb\n0.948303 0.948303 0.736263 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Gd",
"N",
"O",
"S",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Tb",
"density": 6.926755679817629,
"density_atomic": 0.050976160497288724,
"volume": 274.6381811306605,
"volume_molar": 11.813641320280098,
"formula_full": "Tb2 Gd2 Dy2 S4 N2 O2",
"formula_reduced": "TbGdDyS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.4622052568689017,
"spacegroup": 12
},
{
"id": "oqmd-1558164",
"created_at": "2022-09-04T15:55:41.498446Z",
"updated_at": "2022-09-04T15:55:41.498469Z",
"structure_string": "Tb2 Nd2 Dy2 Se4 N2 O2\n1.0\n7.794434 -1.984060 0.000000\n7.794434 1.984060 0.000000\n-0.717771 0.000000 9.589016\nDy N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.205018 0.205018 0.178728 Dy\n0.794982 0.794982 0.821272 Dy\n0.105164 0.105164 0.320442 N\n0.894836 0.894836 0.679558 N\n0.965112 0.965112 0.226469 Nd\n0.034888 0.034888 0.773531 Nd\n0.469097 0.469097 0.357768 O\n0.530903 0.530903 0.642232 O\n0.373983 0.373983 0.008199 Se\n0.791260 0.791260 0.346540 Se\n0.208740 0.208740 0.653460 Se\n0.626017 0.626017 0.991801 Se\n0.609787 0.609787 0.449111 Tb\n0.390213 0.390213 0.550889 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"Nd",
"O",
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"Tb"
],
"chemical_system": "Dy-N-Nd-O-Se-Tb",
"density": 7.318858654709063,
"density_atomic": 0.04720463145018292,
"volume": 296.58106778727426,
"volume_molar": 12.757520978329051,
"formula_full": "Tb2 Nd2 Dy2 Se4 N2 O2",
"formula_reduced": "TbNdDySe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.257325827507944,
"spacegroup": 12
},
{
"id": "oqmd-1557987",
"created_at": "2022-09-04T15:55:41.124193Z",
"updated_at": "2022-09-04T15:55:41.124203Z",
"structure_string": "Tb4 Dy2 Se2 S2 N2 O2\n1.0\n7.589206 -1.938912 0.000000\n7.589206 1.938912 0.000000\n-1.498433 0.000000 9.575204\nDy N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.049088 0.049088 0.257408 Dy\n0.950912 0.950912 0.742592 Dy\n0.902663 0.902663 0.186778 N\n0.097337 0.097337 0.813222 N\n0.538825 0.538825 0.138545 O\n0.461175 0.461175 0.861455 O\n0.213984 0.213984 0.150177 S\n0.786016 0.786016 0.849823 S\n0.629176 0.629176 0.472640 Se\n0.370824 0.370824 0.527360 Se\n0.388082 0.388082 0.052624 Tb\n0.800696 0.800696 0.320662 Tb\n0.199304 0.199304 0.679338 Tb\n0.611918 0.611918 0.947376 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-N-O-S-Se-Tb",
"density": 7.323271764330334,
"density_atomic": 0.04968159895033942,
"volume": 281.794473120603,
"volume_molar": 12.121471303730772,
"formula_full": "Tb4 Dy2 Se2 S2 N2 O2",
"formula_reduced": "Tb2DySeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.290800602319376,
"spacegroup": 12
},
{
"id": "oqmd-1557082",
"created_at": "2022-09-04T15:55:46.688268Z",
"updated_at": "2022-09-04T15:55:46.688300Z",
"structure_string": "Dy2 Ho2 Er2 Se4 N2 O2\n1.0\n7.691919 -1.935995 0.000000\n7.691919 1.935995 0.000000\n-1.238745 0.000000 9.537802\nDy Er Ho N O Se\n2 2 2 2 2 4\ndirect\n0.803557 0.803557 0.325225 Dy\n0.196443 0.196443 0.674775 Dy\n0.393018 0.393018 0.055932 Er\n0.606982 0.606982 0.944068 Er\n0.045501 0.045501 0.258714 Ho\n0.954499 0.954499 0.741286 Ho\n0.903566 0.903566 0.186824 N\n0.096434 0.096434 0.813176 N\n0.536643 0.536643 0.137731 O\n0.463357 0.463357 0.862269 O\n0.212603 0.212603 0.147973 Se\n0.627924 0.627924 0.471410 Se\n0.372076 0.372076 0.528590 Se\n0.787397 0.787397 0.852027 Se\n",
"nsites": 14,
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"elements": [
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"Ho",
"N",
"O",
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],
"chemical_system": "Dy-Er-Ho-N-O-Se",
"density": 7.980644326202687,
"density_atomic": 0.04928455096011112,
"volume": 284.0646759941269,
"volume_molar": 12.21912474128875,
"formula_full": "Dy2 Ho2 Er2 Se4 N2 O2",
"formula_reduced": "DyHoErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.388526900174609,
"spacegroup": 12
},
{
"id": "oqmd-1557634",
"created_at": "2022-09-04T15:55:46.940217Z",
"updated_at": "2022-09-04T15:55:46.940238Z",
"structure_string": "Nd2 Y2 Er2 S4 N2 O2\n1.0\n7.636487 -1.922106 0.000000\n7.636487 1.922106 0.000000\n-1.718735 0.000000 9.514216\nEr N Nd O S Y\n2 2 2 2 4 2\ndirect\n0.052976 0.052976 0.265383 Er\n0.947024 0.947024 0.734617 Er\n0.906607 0.906607 0.205626 N\n0.093393 0.093393 0.794374 N\n0.386265 0.386265 0.055806 Nd\n0.613735 0.613735 0.944194 Nd\n0.540959 0.540959 0.145488 O\n0.459041 0.459041 0.854512 O\n0.215156 0.215156 0.161468 S\n0.635190 0.635190 0.466419 S\n0.364810 0.364810 0.533581 S\n0.784844 0.784844 0.838532 S\n0.804557 0.804557 0.335389 Y\n0.195443 0.195443 0.664611 Y\n",
"nsites": 14,
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"elements": [
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"Y"
],
"chemical_system": "Er-N-Nd-O-S-Y",
"density": 5.88043094707226,
"density_atomic": 0.05012496494688078,
"volume": 279.30194095569544,
"volume_molar": 12.014254306974337,
"formula_full": "Nd2 Y2 Er2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557262",
"created_at": "2022-09-04T15:55:47.192390Z",
"updated_at": "2022-09-04T15:55:47.192409Z",
"structure_string": "Nd2 Y4 Se2 S2 N2 O2\n1.0\n7.593720 -1.964407 0.000000\n7.593720 1.964407 0.000000\n-0.739313 0.000000 9.487545\nN Nd O S Se Y\n2 2 2 2 2 4\ndirect\n0.109891 0.109891 0.326022 N\n0.890109 0.890109 0.673978 N\n0.967602 0.967602 0.224955 Nd\n0.032398 0.032398 0.775045 Nd\n0.469451 0.469451 0.356447 O\n0.530549 0.530549 0.643553 O\n0.793613 0.793613 0.345414 S\n0.206387 0.206387 0.654586 S\n0.374720 0.374720 0.001652 Se\n0.625280 0.625280 0.998348 Se\n0.213151 0.213151 0.184999 Y\n0.614356 0.614356 0.454015 Y\n0.385644 0.385644 0.545985 Y\n0.786849 0.786849 0.815001 Y\n",
"nsites": 14,
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"elements": [
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],
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"volume": 283.0543913827642,
"volume_molar": 12.175667054593838,
"formula_full": "Nd2 Y4 Se2 S2 N2 O2",
"formula_reduced": "NdY2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.4343179728908027,
"spacegroup": 12
},
{
"id": "oqmd-1558558",
"created_at": "2022-09-04T15:55:43.573157Z",
"updated_at": "2022-09-04T15:55:43.573183Z",
"structure_string": "Tb2 Nd2 Y2 Se4 N2 O2\n1.0\n7.819518 -1.975280 0.000000\n7.819518 1.975280 0.000000\n-1.437113 0.000000 9.799946\nN Nd O Se Tb Y\n2 2 2 4 2 2\ndirect\n0.093506 0.093506 0.315076 N\n0.906494 0.906494 0.684924 N\n0.193466 0.193466 0.171995 Nd\n0.806534 0.806534 0.828005 Nd\n0.461503 0.461503 0.364746 O\n0.538497 0.538497 0.635254 O\n0.374900 0.374900 0.036312 Se\n0.785783 0.785783 0.356274 Se\n0.214217 0.214217 0.643726 Se\n0.625100 0.625100 0.963688 Se\n0.951200 0.951200 0.247924 Tb\n0.048800 0.048800 0.752076 Tb\n0.606665 0.606665 0.444611 Y\n0.393335 0.393335 0.555389 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.362740835311534,
"density_atomic": 0.04624509833032795,
"volume": 302.7347871551324,
"volume_molar": 13.02222500854891,
"formula_full": "Tb2 Nd2 Y2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558046",
"created_at": "2022-09-04T15:55:41.050033Z",
"updated_at": "2022-09-04T15:55:41.050060Z",
"structure_string": "Nd2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.781529 -1.977795 0.000000\n7.781529 1.977795 0.000000\n-0.771005 0.000000 9.581480\nDy Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.608853 0.608853 0.447887 Dy\n0.391147 0.391147 0.552113 Dy\n0.203829 0.203829 0.180015 Ho\n0.796171 0.796171 0.819985 Ho\n0.104346 0.104346 0.320509 N\n0.895654 0.895654 0.679491 N\n0.963350 0.963350 0.227356 Nd\n0.036650 0.036650 0.772644 Nd\n0.468238 0.468238 0.359129 O\n0.531762 0.531762 0.640871 O\n0.372266 0.372266 0.009004 Se\n0.789886 0.789886 0.347430 Se\n0.210114 0.210114 0.652570 Se\n0.627734 0.627734 0.990996 Se\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-Se",
"density": 7.4276236741284105,
"density_atomic": 0.047469999557241536,
"volume": 294.92311208299355,
"volume_molar": 12.68620353100746,
"formula_full": "Nd2 Dy2 Ho2 Se4 N2 O2",
"formula_reduced": "NdDyHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.355568765888894,
"spacegroup": 12
},
{
"id": "oqmd-1558344",
"created_at": "2022-09-04T15:55:43.579377Z",
"updated_at": "2022-09-04T15:55:43.579404Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.563718 -1.930645 0.000000\n7.563718 1.930645 0.000000\n-1.119337 0.000000 9.327318\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.611862 0.611862 0.446741 Ho\n0.388138 0.388138 0.553259 Ho\n0.103148 0.103148 0.313141 N\n0.896852 0.896852 0.686859 N\n0.954688 0.954688 0.222810 Nd\n0.045312 0.045312 0.777190 Nd\n0.464079 0.464079 0.359735 O\n0.535921 0.535921 0.640265 O\n0.363302 0.363302 0.012075 S\n0.786941 0.786941 0.345648 S\n0.213059 0.213059 0.654352 S\n0.636698 0.636698 0.987925 S\n0.205279 0.205279 0.177459 Tm\n0.794721 0.794721 0.822541 Tm\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"Nd",
"O",
"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Tm",
"density": 6.9764545415315125,
"density_atomic": 0.05139294478734314,
"volume": 272.410932238463,
"volume_molar": 11.717835560734613,
"formula_full": "Nd2 Ho2 Tm2 S4 N2 O2",
"formula_reduced": "NdHoTmS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.5307718632260423,
"spacegroup": 12
},
{
"id": "oqmd-1557865",
"created_at": "2022-09-04T15:55:41.077689Z",
"updated_at": "2022-09-04T15:55:41.077720Z",
"structure_string": "Tb2 Sm2 Er2 Se4 N2 O2\n1.0\n7.764110 -1.966068 0.000000\n7.764110 1.966068 0.000000\n-1.060039 0.000000 9.601981\nEr N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.606471 0.606471 0.445166 Er\n0.393529 0.393529 0.554834 Er\n0.099065 0.099065 0.318160 N\n0.900935 0.900935 0.681840 N\n0.464723 0.464723 0.362689 O\n0.535277 0.535277 0.637311 O\n0.371264 0.371264 0.019061 Se\n0.787612 0.787612 0.354197 Se\n0.212388 0.212388 0.645803 Se\n0.628736 0.628736 0.980939 Se\n0.956285 0.956285 0.234786 Sm\n0.043715 0.043715 0.765214 Sm\n0.199786 0.199786 0.179253 Tb\n0.800214 0.800214 0.820747 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"Se",
"Sm",
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],
"chemical_system": "Er-N-O-Se-Sm-Tb",
"density": 7.5278977726156056,
"density_atomic": 0.04775809371278089,
"volume": 293.1440288257016,
"volume_molar": 12.609675746727662,
"formula_full": "Tb2 Sm2 Er2 Se4 N2 O2",
"formula_reduced": "TbSmErSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.269651461912704,
"spacegroup": 12
}
]
}