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{
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"results": [
{
"id": "oqmd-1557227",
"created_at": "2022-09-04T15:55:47.027756Z",
"updated_at": "2022-09-04T15:55:47.027766Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.564161 -1.928627 0.000000\n7.564161 1.928627 0.000000\n-1.502012 0.000000 9.530907\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.198938 0.198938 0.179100 Dy\n0.801062 0.801062 0.820900 Dy\n0.950482 0.950482 0.243419 Ho\n0.049518 0.049518 0.756581 Ho\n0.096798 0.096798 0.311925 N\n0.903202 0.903202 0.688075 N\n0.460296 0.460296 0.361403 O\n0.539704 0.539704 0.638597 O\n0.785607 0.785607 0.349871 S\n0.214393 0.214393 0.650129 S\n0.370164 0.370164 0.028087 Se\n0.629836 0.629836 0.971913 Se\n0.611953 0.611953 0.446589 Y\n0.388047 0.388047 0.553411 Y\n",
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},
{
"id": "oqmd-1557734",
"created_at": "2022-09-04T15:55:40.759498Z",
"updated_at": "2022-09-04T15:55:40.759508Z",
"structure_string": "Dy2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.702086 -1.913130 0.000000\n7.702086 1.913130 0.000000\n-1.552278 0.000000 9.437437\nDy Er N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.606827 0.606827 0.440223 Dy\n0.393173 0.393173 0.559777 Dy\n0.947871 0.947871 0.236830 Er\n0.052129 0.052129 0.763170 Er\n0.091896 0.091896 0.300522 N\n0.908104 0.908104 0.699478 N\n0.460107 0.460107 0.360045 O\n0.539893 0.539893 0.639955 O\n0.366624 0.366624 0.034603 S\n0.633376 0.633376 0.965397 S\n0.784847 0.784847 0.349747 Se\n0.215153 0.215153 0.650253 Se\n0.191842 0.191842 0.164448 Y\n0.808158 0.808158 0.835552 Y\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.05033744046603919,
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"volume_molar": 11.963541857204511,
"formula_full": "Dy2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.465251905271756,
"spacegroup": 12
},
{
"id": "oqmd-1557226",
"created_at": "2022-09-04T15:55:47.001911Z",
"updated_at": "2022-09-04T15:55:47.001928Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.713923 -1.924010 0.000000\n7.713923 1.924010 0.000000\n-1.507425 0.000000 9.454087\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.605912 0.605912 0.440660 Ho\n0.394088 0.394088 0.559340 Ho\n0.092826 0.092826 0.303926 N\n0.907174 0.907174 0.696074 N\n0.460297 0.460297 0.361826 O\n0.539703 0.539703 0.638174 O\n0.367391 0.367391 0.031039 S\n0.632609 0.632609 0.968961 S\n0.784736 0.784736 0.351482 Se\n0.215264 0.215264 0.648518 Se\n0.192281 0.192281 0.166674 Tb\n0.807719 0.807719 0.833326 Tb\n0.947715 0.947715 0.235366 Y\n0.052285 0.052285 0.764634 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb-Y",
"density": 6.553812954300126,
"density_atomic": 0.04988796870821837,
"volume": 280.6287841038853,
"volume_molar": 12.071328851294629,
"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.360880439033658,
"spacegroup": 12
},
{
"id": "oqmd-1557665",
"created_at": "2022-09-04T15:55:40.612368Z",
"updated_at": "2022-09-04T15:55:40.612380Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.775301 -1.947111 0.000000\n7.775301 1.947111 0.000000\n-1.122604 0.000000 9.424384\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198909 0.198909 0.172696 Er\n0.801091 0.801091 0.827304 Er\n0.606612 0.606612 0.441918 Ho\n0.393388 0.393388 0.558082 Ho\n0.098730 0.098730 0.308782 N\n0.901270 0.901270 0.691218 N\n0.952771 0.952771 0.224113 Nd\n0.047229 0.047229 0.775887 Nd\n0.463661 0.463661 0.360844 O\n0.536339 0.536339 0.639156 O\n0.363178 0.363178 0.016135 S\n0.636822 0.636822 0.983865 S\n0.786093 0.786093 0.350580 Se\n0.213907 0.213907 0.649420 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
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],
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"density": 7.186190635798008,
"density_atomic": 0.04906108469945004,
"volume": 285.35855017809945,
"volume_molar": 12.274781116014555,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557716",
"created_at": "2022-09-04T15:55:40.668827Z",
"updated_at": "2022-09-04T15:55:40.668848Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.711719 -1.922167 0.000000\n7.711719 1.922167 0.000000\n-1.515498 0.000000 9.462348\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.947783 0.947783 0.236913 Dy\n0.052217 0.052217 0.763087 Dy\n0.605649 0.605649 0.441139 Er\n0.394351 0.394351 0.558861 Er\n0.192286 0.192286 0.166708 Gd\n0.807714 0.807714 0.833292 Gd\n0.092477 0.092477 0.305521 N\n0.907523 0.907523 0.694479 N\n0.460526 0.460526 0.362326 O\n0.539474 0.539474 0.637674 O\n0.368079 0.368079 0.032824 S\n0.631921 0.631921 0.967176 S\n0.785026 0.785026 0.353771 Se\n0.214974 0.214974 0.646229 Se\n",
"nsites": 14,
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"elements": [
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"Gd",
"N",
"O",
"S",
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],
"chemical_system": "Dy-Er-Gd-N-O-S-Se",
"density": 7.435244288437356,
"density_atomic": 0.049906465198321905,
"volume": 280.5247765868769,
"volume_molar": 12.066854937669467,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4601379342003256,
"spacegroup": 12
},
{
"id": "oqmd-1557142",
"created_at": "2022-09-04T15:55:46.919977Z",
"updated_at": "2022-09-04T15:55:46.920002Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.725753 -1.924739 0.000000\n7.725753 1.924739 0.000000\n-1.525238 0.000000 9.465790\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.948262 0.948262 0.235897 Dy\n0.051738 0.051738 0.764103 Dy\n0.092726 0.092726 0.301842 N\n0.907274 0.907274 0.698158 N\n0.460185 0.460185 0.360108 O\n0.539815 0.539815 0.639892 O\n0.367130 0.367130 0.032019 S\n0.632870 0.632870 0.967981 S\n0.784741 0.784741 0.350031 Se\n0.215259 0.215259 0.649969 Se\n0.192044 0.192044 0.165240 Tb\n0.807956 0.807956 0.834760 Tb\n0.607182 0.607182 0.440877 Y\n0.392818 0.392818 0.559123 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.504540678438034,
"density_atomic": 0.04973115080731045,
"volume": 281.51369459043383,
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"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbDyYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.35553408950985,
"spacegroup": 12
},
{
"id": "oqmd-1558000",
"created_at": "2022-09-04T15:55:41.098341Z",
"updated_at": "2022-09-04T15:55:41.098363Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.568441 -1.932640 0.000000\n7.568441 1.932640 0.000000\n-1.460409 0.000000 9.523041\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.951358 0.951358 0.240578 Dy\n0.048642 0.048642 0.759422 Dy\n0.199622 0.199622 0.180034 Ho\n0.800378 0.800378 0.819966 Ho\n0.098097 0.098097 0.312446 N\n0.901903 0.901903 0.687554 N\n0.461281 0.461281 0.360470 O\n0.538719 0.538719 0.639530 O\n0.785945 0.785945 0.348314 S\n0.214055 0.214055 0.651686 S\n0.369760 0.369760 0.025030 Se\n0.630240 0.630240 0.974970 Se\n0.612288 0.612288 0.447323 Tb\n0.387712 0.387712 0.552677 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.479135578306652,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557811",
"created_at": "2022-09-04T15:55:40.871517Z",
"updated_at": "2022-09-04T15:55:40.871536Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.832295 -1.935784 0.000000\n7.832295 1.935784 0.000000\n-1.703845 0.000000 9.618601\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051722 0.051722 0.264753 Er\n0.948278 0.948278 0.735247 Er\n0.909167 0.909167 0.208562 N\n0.090833 0.090833 0.791438 N\n0.390312 0.390312 0.059083 Nd\n0.609688 0.609688 0.940917 Nd\n0.539901 0.539901 0.145130 O\n0.460099 0.460099 0.854870 O\n0.633391 0.633391 0.463798 S\n0.366609 0.366609 0.536202 S\n0.215610 0.215610 0.159562 Se\n0.784390 0.784390 0.840438 Se\n0.810476 0.810476 0.340671 Tb\n0.189524 0.189524 0.659329 Tb\n",
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],
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"density": 6.96237636265654,
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"volume": 291.6673648194459,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557143",
"created_at": "2022-09-04T15:55:45.912083Z",
"updated_at": "2022-09-04T15:55:45.912103Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.580795 -1.941157 0.000000\n7.580795 1.941157 0.000000\n-1.235583 0.000000 9.494798\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.955600 0.955600 0.236260 Gd\n0.044400 0.044400 0.763740 Gd\n0.203874 0.203874 0.181612 Ho\n0.796126 0.796126 0.818388 Ho\n0.101514 0.101514 0.315986 N\n0.898486 0.898486 0.684014 N\n0.463095 0.463095 0.359534 O\n0.536905 0.536905 0.640466 O\n0.788046 0.788046 0.347392 S\n0.211954 0.211954 0.652608 S\n0.370642 0.370642 0.018798 Se\n0.629358 0.629358 0.981202 Se\n0.612744 0.612744 0.448505 Y\n0.387256 0.387256 0.551495 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Gd2 Y2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558444",
"created_at": "2022-09-04T15:55:40.813540Z",
"updated_at": "2022-09-04T15:55:40.813559Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.757571 -1.931757 0.000000\n7.757571 1.931757 0.000000\n-1.372248 0.000000 9.454596\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049310 0.049310 0.269478 Gd\n0.950690 0.950690 0.730522 Gd\n0.805195 0.805195 0.333200 Ho\n0.194805 0.194805 0.666800 Ho\n0.904488 0.904488 0.197744 N\n0.095512 0.095512 0.802256 N\n0.537826 0.537826 0.140975 O\n0.462174 0.462174 0.859025 O\n0.634319 0.634319 0.473908 S\n0.365681 0.365681 0.526092 S\n0.214336 0.214336 0.152624 Se\n0.785664 0.785664 0.847376 Se\n0.392380 0.392380 0.058749 Tb\n0.607620 0.607620 0.941251 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density": 7.291447244198839,
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"volume": 283.3682742956883,
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.36271177153366,
"spacegroup": 12
},
{
"id": "oqmd-1557171",
"created_at": "2022-09-04T15:55:46.072138Z",
"updated_at": "2022-09-04T15:55:46.072173Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.815579 -1.957445 0.000000\n7.815579 1.957445 0.000000\n-1.688650 0.000000 9.681257\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.606356 0.606356 0.442263 Gd\n0.393644 0.393644 0.557737 Gd\n0.090291 0.090291 0.305049 N\n0.909709 0.909709 0.694951 N\n0.189380 0.189380 0.162807 Nd\n0.810620 0.810620 0.837193 Nd\n0.459620 0.459620 0.362770 O\n0.540380 0.540380 0.637230 O\n0.370242 0.370242 0.040605 S\n0.629758 0.629758 0.959395 S\n0.784197 0.784197 0.353033 Se\n0.215803 0.215803 0.646967 Se\n0.946043 0.946043 0.241871 Y\n0.053957 0.053957 0.758129 Y\n",
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"elements": [
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],
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"density": 5.958155480672625,
"density_atomic": 0.04726237757819359,
"volume": 296.21869904529444,
"volume_molar": 12.741933581391722,
"formula_full": "Nd2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "NdGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.408523553962231,
"spacegroup": 12
},
{
"id": "oqmd-1558166",
"created_at": "2022-09-04T15:55:41.489066Z",
"updated_at": "2022-09-04T15:55:41.489082Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.846593 -1.939513 0.000000\n7.846593 1.939513 0.000000\n-1.700913 0.000000 9.630635\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.947531 0.947531 0.235547 Ho\n0.052469 0.052469 0.764453 Ho\n0.090701 0.090701 0.292704 N\n0.909299 0.909299 0.707296 N\n0.609631 0.609631 0.441125 Nd\n0.390369 0.390369 0.558875 Nd\n0.459596 0.459596 0.355540 O\n0.540404 0.540404 0.644460 O\n0.365524 0.365524 0.035828 S\n0.634476 0.634476 0.964172 S\n0.783615 0.783615 0.340821 Se\n0.216385 0.216385 0.659179 Se\n0.188610 0.188610 0.159863 Tb\n0.811390 0.811390 0.840137 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}