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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=8",
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"results": [
{
"id": "oqmd-1557955",
"created_at": "2022-09-04T15:55:41.446730Z",
"updated_at": "2022-09-04T15:55:41.446748Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.723774 -1.922005 0.000000\n7.723774 1.922005 0.000000\n-1.491332 0.000000 9.451524\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948331 0.948331 0.235771 Dy\n0.051669 0.051669 0.764229 Dy\n0.606242 0.606242 0.440923 Ho\n0.393758 0.393758 0.559077 Ho\n0.092898 0.092898 0.304287 N\n0.907102 0.907102 0.695713 N\n0.460868 0.460868 0.361505 O\n0.539132 0.539132 0.638495 O\n0.367504 0.367504 0.031560 S\n0.632496 0.632496 0.968440 S\n0.785076 0.785076 0.351410 Se\n0.214924 0.214924 0.648590 Se\n0.192389 0.192389 0.166318 Tb\n0.807611 0.807611 0.833682 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density_atomic": 0.049889841905400675,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557949",
"created_at": "2022-09-04T15:55:41.480770Z",
"updated_at": "2022-09-04T15:55:41.480794Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.716095 -1.921772 0.000000\n7.716095 1.921772 0.000000\n-1.452867 0.000000 9.425702\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607343 0.607343 0.441291 Dy\n0.392657 0.392657 0.558709 Dy\n0.194034 0.194034 0.166855 Ho\n0.805966 0.805966 0.833145 Ho\n0.094611 0.094611 0.302536 N\n0.905389 0.905389 0.697464 N\n0.461636 0.461636 0.359584 O\n0.538364 0.538364 0.640416 O\n0.365617 0.365617 0.028178 S\n0.634383 0.634383 0.971822 S\n0.785430 0.785430 0.348791 Se\n0.214570 0.214570 0.651209 Se\n0.949833 0.949833 0.232360 Tb\n0.050167 0.050167 0.767640 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.45368990941399,
"density_atomic": 0.05008237403854775,
"volume": 279.53946410815877,
"volume_molar": 12.024471434530716,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.369773419271755,
"spacegroup": 12
},
{
"id": "oqmd-1557807",
"created_at": "2022-09-04T15:55:41.483872Z",
"updated_at": "2022-09-04T15:55:41.483902Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.713199 -1.913693 0.000000\n7.713199 1.913693 0.000000\n-1.573142 0.000000 9.453546\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808806 0.808806 0.336570 Dy\n0.191194 0.191194 0.663430 Dy\n0.052186 0.052186 0.263958 Er\n0.947814 0.947814 0.736042 Er\n0.908000 0.908000 0.201191 N\n0.092000 0.092000 0.798809 N\n0.540060 0.540060 0.140785 O\n0.459940 0.459940 0.859215 O\n0.632987 0.632987 0.465791 S\n0.367013 0.367013 0.534209 S\n0.215276 0.215276 0.152239 Se\n0.784724 0.784724 0.847761 Se\n0.392643 0.392643 0.059696 Tb\n0.607357 0.607357 0.940304 Tb\n",
"nsites": 14,
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"elements": [
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"O",
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],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.493624030651123,
"density_atomic": 0.050164500666906524,
"volume": 279.0818170993136,
"volume_molar": 12.004785615204582,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3703879495098508,
"spacegroup": 12
},
{
"id": "oqmd-1557714",
"created_at": "2022-09-04T15:55:41.050656Z",
"updated_at": "2022-09-04T15:55:41.050679Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716132 -1.927614 0.000000\n7.716132 1.927614 0.000000\n-1.398056 0.000000 9.431652\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393957 0.393957 0.059113 Er\n0.606043 0.606043 0.940887 Er\n0.050997 0.050997 0.266644 Gd\n0.949003 0.949003 0.733356 Gd\n0.905631 0.905631 0.194203 N\n0.094369 0.094369 0.805797 N\n0.538514 0.538514 0.137801 O\n0.461486 0.461486 0.862199 O\n0.634963 0.634963 0.471065 S\n0.365037 0.365037 0.528935 S\n0.214957 0.214957 0.146945 Se\n0.785043 0.785043 0.853055 Se\n0.805195 0.805195 0.331531 Y\n0.194805 0.194805 0.668469 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
"chemical_system": "Er-Gd-N-O-S-Se-Y",
"density": 6.562976124838782,
"density_atomic": 0.04989885169035825,
"volume": 280.5675787265694,
"volume_molar": 12.068696084169876,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558015",
"created_at": "2022-09-04T15:55:40.854054Z",
"updated_at": "2022-09-04T15:55:40.854082Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833782 -1.956571 0.000000\n7.833782 1.956571 0.000000\n-1.690966 0.000000 9.711884\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393822 0.393822 0.057827 Gd\n0.606178 0.606178 0.942173 Gd\n0.909984 0.909984 0.194445 N\n0.090016 0.090016 0.805555 N\n0.810906 0.810906 0.336236 Nd\n0.189094 0.189094 0.663764 Nd\n0.540313 0.540313 0.137040 O\n0.459687 0.459687 0.862960 O\n0.631031 0.631031 0.459846 S\n0.368969 0.368969 0.540154 S\n0.216127 0.216127 0.146476 Se\n0.783873 0.783873 0.853524 Se\n0.054085 0.054085 0.257849 Tb\n0.945915 0.945915 0.742151 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
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],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.709295607199337,
"density_atomic": 0.047024854403859326,
"volume": 297.71490369252524,
"volume_molar": 12.806293259901649,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3205842832003265,
"spacegroup": 12
},
{
"id": "oqmd-1557674",
"created_at": "2022-09-04T15:55:39.731134Z",
"updated_at": "2022-09-04T15:55:39.731154Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.547436 -1.921391 0.000000\n7.547436 1.921391 0.000000\n-1.488627 0.000000 9.488122\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.199000 0.199000 0.179394 Er\n0.801000 0.801000 0.820606 Er\n0.950251 0.950251 0.242000 Ho\n0.049749 0.049749 0.758000 Ho\n0.096734 0.096734 0.310392 N\n0.903266 0.903266 0.689608 N\n0.460025 0.460025 0.361105 O\n0.539975 0.539975 0.638895 O\n0.784997 0.784997 0.348353 S\n0.215003 0.215003 0.651647 S\n0.368665 0.368665 0.026794 Se\n0.631335 0.631335 0.973206 Se\n0.612047 0.612047 0.445955 Y\n0.387953 0.387953 0.554045 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.784026376911801,
"density_atomic": 0.05087478520227111,
"volume": 275.18543703600784,
"volume_molar": 11.837181692378259,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4794354655098494,
"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",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558083",
"created_at": "2022-09-04T15:55:41.175713Z",
"updated_at": "2022-09-04T15:55:41.175741Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.663055 -1.969537 0.000000\n7.663055 1.969537 0.000000\n-1.433189 0.000000 9.726234\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.389583 0.389583 0.050388 Dy\n0.610417 0.610417 0.949612 Dy\n0.047463 0.047463 0.254325 Gd\n0.952537 0.952537 0.745675 Gd\n0.902332 0.902332 0.178840 N\n0.097668 0.097668 0.821160 N\n0.799024 0.799024 0.319542 Nd\n0.200976 0.200976 0.680458 Nd\n0.537265 0.537265 0.135633 O\n0.462735 0.462735 0.864367 O\n0.211671 0.211671 0.144514 S\n0.788329 0.788329 0.855486 S\n0.624870 0.624870 0.471306 Se\n0.375130 0.375130 0.528694 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557737",
"created_at": "2022-09-04T15:55:39.726848Z",
"updated_at": "2022-09-04T15:55:39.726864Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.648326 -1.947617 0.000000\n7.648326 1.947617 0.000000\n-1.637925 0.000000 9.685134\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.196942 0.196942 0.173378 Dy\n0.803058 0.803058 0.826622 Dy\n0.950171 0.950171 0.241250 Er\n0.049829 0.049829 0.758750 Er\n0.095683 0.095683 0.302832 N\n0.904317 0.904317 0.697168 N\n0.614356 0.614356 0.446920 Nd\n0.385644 0.385644 0.553080 Nd\n0.460381 0.460381 0.356389 O\n0.539619 0.539619 0.643611 O\n0.785494 0.785494 0.340305 S\n0.214506 0.214506 0.659695 S\n0.369583 0.369583 0.031078 Se\n0.630417 0.630417 0.968922 Se\n",
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},
{
"id": "oqmd-1558159",
"created_at": "2022-09-04T15:55:41.709839Z",
"updated_at": "2022-09-04T15:55:41.709859Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.651738 -1.966592 0.000000\n7.651738 1.966592 0.000000\n-1.412998 0.000000 9.708912\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.952563 0.952563 0.245896 Gd\n0.047437 0.047437 0.754104 Gd\n0.609918 0.609918 0.449470 Ho\n0.390082 0.390082 0.550530 Ho\n0.097655 0.097655 0.322305 N\n0.902345 0.902345 0.677695 N\n0.201206 0.201206 0.181195 Nd\n0.798794 0.798794 0.818805 Nd\n0.462750 0.462750 0.365005 O\n0.537250 0.537250 0.634995 O\n0.788416 0.788416 0.356477 S\n0.211584 0.211584 0.643523 S\n0.375265 0.375265 0.028383 Se\n0.624735 0.624735 0.971617 Se\n",
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"density": 6.904260275864669,
"density_atomic": 0.04791297259880675,
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.434910417295563,
"spacegroup": 12
},
{
"id": "oqmd-1558208",
"created_at": "2022-09-04T15:55:41.640405Z",
"updated_at": "2022-09-04T15:55:41.640429Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.625219 -1.956201 0.000000\n7.625219 1.956201 0.000000\n-1.519997 0.000000 9.706989\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.951018 0.951018 0.249180 Dy\n0.048982 0.048982 0.750820 Dy\n0.609941 0.609941 0.449012 Ho\n0.390059 0.390059 0.550988 Ho\n0.096030 0.096030 0.320872 N\n0.903970 0.903970 0.679128 N\n0.198906 0.198906 0.179351 Nd\n0.801094 0.801094 0.820649 Nd\n0.461745 0.461745 0.365249 O\n0.538255 0.538255 0.634751 O\n0.787514 0.787514 0.356231 S\n0.212486 0.212486 0.643769 S\n0.375792 0.375792 0.033176 Se\n0.624208 0.624208 0.966824 Se\n",
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"volume_molar": 12.456705521442158,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557815",
"created_at": "2022-09-04T15:55:40.895451Z",
"updated_at": "2022-09-04T15:55:40.895471Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.728109 -1.920105 0.000000\n7.728109 1.920105 0.000000\n-1.609333 0.000000 9.492333\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.947301 0.947301 0.238789 Er\n0.052699 0.052699 0.761211 Er\n0.190514 0.190514 0.163337 Gd\n0.809486 0.809486 0.836663 Gd\n0.091304 0.091304 0.301058 N\n0.908696 0.908696 0.698942 N\n0.459472 0.459472 0.360343 O\n0.540528 0.540528 0.639657 O\n0.368403 0.368403 0.036256 S\n0.631597 0.631597 0.963744 S\n0.784573 0.784573 0.350462 Se\n0.215427 0.215427 0.649538 Se\n0.607023 0.607023 0.440678 Y\n0.392977 0.392977 0.559322 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.536377558395873,
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
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"spacegroup": 12
}
]
}