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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=27",
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"results": [
{
"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,
"nelements": 7,
"elements": [
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],
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"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",
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"spacegroup": 12
},
{
"id": "oqmd-1558052",
"created_at": "2022-09-04T15:55:41.302218Z",
"updated_at": "2022-09-04T15:55:41.302242Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.864901 -1.948167 0.000000\n7.864901 1.948167 0.000000\n-1.683386 0.000000 9.660917\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.947665 0.947665 0.235428 Dy\n0.052335 0.052335 0.764572 Dy\n0.189193 0.189193 0.160312 Gd\n0.810807 0.810807 0.839688 Gd\n0.091057 0.091057 0.294232 N\n0.908943 0.908943 0.705768 N\n0.609480 0.609480 0.441542 Nd\n0.390520 0.390520 0.558458 Nd\n0.459869 0.459869 0.356083 O\n0.540131 0.540131 0.643917 O\n0.365925 0.365925 0.035503 S\n0.634075 0.634075 0.964497 S\n0.783843 0.783843 0.341922 Se\n0.216157 0.216157 0.658078 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"S",
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],
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"density": 6.787084561076354,
"density_atomic": 0.04728901262392224,
"volume": 296.051856936378,
"volume_molar": 12.734756819501792,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.411950386343183,
"spacegroup": 12
},
{
"id": "oqmd-93315",
"created_at": "2022-09-04T15:51:34.800434Z",
"updated_at": "2022-09-04T15:51:34.800451Z",
"structure_string": "H26 Ru2 C10 S2 N4 Cl6 O6\n1.0\n7.469109 0.000000 0.000000\n-3.515740 8.705410 0.000000\n-0.075602 -1.221577 9.531597\nC Cl H N O Ru S\n10 6 26 4 6 2 2\ndirect\n0.997937 0.772882 0.026445 C\n0.880308 0.350092 0.208139 C\n0.503964 0.869513 0.252386 C\n0.247495 0.794400 0.422908 C\n0.573973 0.817284 0.483007 C\n0.426027 0.182716 0.516993 C\n0.752505 0.205600 0.577092 C\n0.496036 0.130487 0.747614 C\n0.119692 0.649908 0.791861 C\n0.002063 0.227118 0.973555 C\n0.377645 0.146431 0.073962 Cl\n0.031545 0.064378 0.295792 Cl\n0.207345 0.409529 0.474060 Cl\n0.792655 0.590471 0.525940 Cl\n0.968455 0.935622 0.704208 Cl\n0.622355 0.853569 0.926038 Cl\n0.916464 0.113014 0.004035 H\n0.087687 0.726799 0.083577 H\n0.875768 0.778523 0.085308 H\n0.799607 0.384858 0.131885 H\n0.426394 0.770120 0.173714 H\n0.801686 0.230595 0.228107 H\n0.466863 0.968048 0.231452 H\n0.659824 0.900447 0.244626 H\n0.920128 0.428273 0.306863 H\n0.158758 0.678048 0.371591 H\n0.198387 0.879291 0.382959 H\n0.720918 0.840365 0.448399 H\n0.768427 0.203601 0.464180 H\n0.231573 0.796399 0.535820 H\n0.279082 0.159635 0.551601 H\n0.801613 0.120709 0.617041 H\n0.841242 0.321952 0.628409 H\n0.079872 0.571727 0.693137 H\n0.340176 0.099553 0.755374 H\n0.533137 0.031952 0.768548 H\n0.198314 0.769405 0.771893 H\n0.573606 0.229880 0.826286 H\n0.200393 0.615142 0.868115 H\n0.124232 0.221477 0.914692 H\n0.912313 0.273201 0.916423 H\n0.083536 0.886986 0.995965 H\n0.489418 0.459824 0.237759 N\n0.449078 0.830043 0.392148 N\n0.550922 0.169957 0.607852 N\n0.510582 0.540176 0.762241 N\n0.195842 0.518615 0.087193 O\n0.608261 0.571402 0.205967 O\n0.471331 0.217177 0.394009 O\n0.528669 0.782823 0.605991 O\n0.391739 0.428598 0.794033 O\n0.804158 0.481385 0.912807 O\n0.296080 0.289376 0.268177 Ru\n0.703920 0.710624 0.731823 Ru\n0.097466 0.361166 0.127063 S\n0.902534 0.638834 0.872937 S\n",
"nsites": 56,
"nelements": 7,
"elements": [
"C",
"Cl",
"H",
"N",
"O",
"Ru",
"S"
],
"chemical_system": "C-Cl-H-N-O-Ru-S",
"density": 2.0827053500623314,
"density_atomic": 0.0903575252554491,
"volume": 619.7602229773647,
"volume_molar": 6.664791607533351,
"formula_full": "H26 Ru2 C10 S2 N4 Cl6 O6",
"formula_reduced": "H13RuC5SN2(ClO)3",
"formula_anonymous": "ABC2D3E3F5G13",
"formation_energy": -0.4639187580388671,
"spacegroup": 2
},
{
"id": "oqmd-1557587",
"created_at": "2022-09-04T15:55:19.606982Z",
"updated_at": "2022-09-04T15:55:19.607010Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.703258 -1.919908 0.000000\n7.703258 1.919908 0.000000\n-1.500266 0.000000 9.429449\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051610 0.051610 0.264332 Dy\n0.948390 0.948390 0.735668 Dy\n0.394155 0.394155 0.059003 Er\n0.605845 0.605845 0.940997 Er\n0.906975 0.906975 0.195493 N\n0.093025 0.093025 0.804507 N\n0.539030 0.539030 0.138161 O\n0.460970 0.460970 0.861839 O\n0.632870 0.632870 0.468136 S\n0.367130 0.367130 0.531864 S\n0.214853 0.214853 0.147042 Se\n0.785147 0.785147 0.852958 Se\n0.806933 0.806933 0.332972 Tb\n0.193067 0.193067 0.667028 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.498117959947368,
"density_atomic": 0.050194584337805465,
"volume": 278.91455193215944,
"volume_molar": 11.997590655341385,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3709290659384226,
"spacegroup": 12
},
{
"id": "oqmd-1557700",
"created_at": "2022-09-04T15:55:39.848869Z",
"updated_at": "2022-09-04T15:55:39.848903Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.717689 -1.926707 0.000000\n7.717689 1.926707 0.000000\n-1.498058 0.000000 9.458199\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.394461 0.394461 0.058921 Er\n0.605539 0.605539 0.941079 Er\n0.806806 0.806806 0.332902 Gd\n0.193194 0.193194 0.667098 Gd\n0.906864 0.906864 0.194463 N\n0.093136 0.093136 0.805537 N\n0.538977 0.538977 0.137431 O\n0.461023 0.461023 0.862569 O\n0.632429 0.632429 0.467314 S\n0.367571 0.367571 0.532686 S\n0.214631 0.214631 0.146036 Se\n0.785369 0.785369 0.853964 Se\n0.051712 0.051712 0.263625 Y\n0.948288 0.948288 0.736375 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Gd",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Gd-N-O-S-Se-Y",
"density": 6.546315262903098,
"density_atomic": 0.04977217777551406,
"volume": 281.2816441977639,
"volume_molar": 12.099411818308367,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"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,
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"elements": [
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],
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"density": 7.425035620442552,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558089",
"created_at": "2022-09-04T15:55:41.533014Z",
"updated_at": "2022-09-04T15:55:41.533030Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.804682 -1.956167 0.000000\n7.804682 1.956167 0.000000\n-1.196093 0.000000 9.495425\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802217 0.802217 0.328864 Ho\n0.197783 0.197783 0.671136 Ho\n0.900913 0.900913 0.192021 N\n0.099087 0.099087 0.807979 N\n0.046569 0.046569 0.275405 Nd\n0.953431 0.953431 0.724595 Nd\n0.535858 0.535858 0.140640 O\n0.464142 0.464142 0.859360 O\n0.635140 0.635140 0.482884 S\n0.364860 0.364860 0.517116 S\n0.213674 0.213674 0.152416 Se\n0.786326 0.786326 0.847584 Se\n0.392174 0.392174 0.056635 Tb\n0.607826 0.607826 0.943365 Tb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.977223923313728,
"density_atomic": 0.04828614024638605,
"volume": 289.9382706624148,
"volume_molar": 12.47177912600029,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558064",
"created_at": "2022-09-04T15:55:41.603969Z",
"updated_at": "2022-09-04T15:55:41.603997Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.622032 -1.974724 0.000000\n7.622032 1.974724 0.000000\n-0.672398 0.000000 9.517509\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386992 0.386992 0.046232 Dy\n0.613008 0.613008 0.953768 Dy\n0.787347 0.787347 0.314637 Gd\n0.212653 0.212653 0.685363 Gd\n0.891491 0.891491 0.171821 N\n0.108509 0.108509 0.828179 N\n0.032794 0.032794 0.273744 Nd\n0.967206 0.967206 0.726256 Nd\n0.530345 0.530345 0.142741 O\n0.469655 0.469655 0.857259 O\n0.206622 0.206622 0.153297 S\n0.793378 0.793378 0.846703 S\n0.623343 0.623343 0.498365 Se\n0.376657 0.376657 0.501635 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4409635734860404,
"spacegroup": 12
},
{
"id": "oqmd-1558467",
"created_at": "2022-09-04T15:55:42.155645Z",
"updated_at": "2022-09-04T15:55:42.155678Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.613890 -1.949891 0.000000\n7.613890 1.949891 0.000000\n-1.305880 0.000000 9.560852\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202593 0.202593 0.181624 Dy\n0.797407 0.797407 0.818376 Dy\n0.954239 0.954239 0.237880 Gd\n0.045761 0.045761 0.762120 Gd\n0.099995 0.099995 0.315599 N\n0.900005 0.900005 0.684401 N\n0.463218 0.463218 0.360538 O\n0.536782 0.536782 0.639462 O\n0.787322 0.787322 0.348408 S\n0.212678 0.212678 0.651592 S\n0.370403 0.370403 0.021038 Se\n0.629597 0.629597 0.978962 Se\n0.612198 0.612198 0.448621 Tb\n0.387802 0.387802 0.551379 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.249725876040528,
"density_atomic": 0.04931562161151067,
"volume": 283.8857048236473,
"volume_molar": 12.211426244284395,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3822478348669938,
"spacegroup": 12
},
{
"id": "oqmd-1558123",
"created_at": "2022-09-04T15:55:42.206335Z",
"updated_at": "2022-09-04T15:55:42.206359Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.579244 -1.962250 0.000000\n7.579244 1.962250 0.000000\n-0.496209 0.000000 9.451923\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.385596 0.385596 0.044529 Dy\n0.614404 0.614404 0.955471 Dy\n0.784941 0.784941 0.313975 Ho\n0.215059 0.215059 0.686025 Ho\n0.887782 0.887782 0.170764 N\n0.112218 0.112218 0.829236 N\n0.027334 0.027334 0.277273 Nd\n0.972666 0.972666 0.722727 Nd\n0.527793 0.527793 0.144486 O\n0.472207 0.472207 0.855514 O\n0.204837 0.204837 0.158746 S\n0.795163 0.795163 0.841254 S\n0.376756 0.376756 0.495519 Se\n0.623244 0.623244 0.504481 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
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"S",
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],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 7.2376737151905095,
"density_atomic": 0.04979636466208123,
"volume": 281.145021228039,
"volume_molar": 12.09353494148885,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4537783678908016,
"spacegroup": 12
},
{
"id": "oqmd-1558151",
"created_at": "2022-09-04T15:55:42.525651Z",
"updated_at": "2022-09-04T15:55:42.525682Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.647497 -1.961858 0.000000\n7.647497 1.961858 0.000000\n-1.617246 0.000000 9.768085\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050681 0.050681 0.249925 Dy\n0.949319 0.949319 0.750075 Dy\n0.905149 0.905149 0.182109 N\n0.094851 0.094851 0.817891 N\n0.803281 0.803281 0.322951 Nd\n0.196719 0.196719 0.677049 Nd\n0.539341 0.539341 0.135007 O\n0.460659 0.460659 0.864993 O\n0.213844 0.213844 0.146365 S\n0.786156 0.786156 0.853635 S\n0.625365 0.625365 0.464105 Se\n0.374635 0.374635 0.535895 Se\n0.389219 0.389219 0.051642 Tb\n0.610781 0.610781 0.948358 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.874255466453081,
"density_atomic": 0.047764113848387545,
"volume": 293.10708127944514,
"volume_molar": 12.608086437268426,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3454625302241365,
"spacegroup": 12
},
{
"id": "oqmd-1558495",
"created_at": "2022-09-04T15:55:42.291616Z",
"updated_at": "2022-09-04T15:55:42.291637Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.742080 -1.927563 0.000000\n7.742080 1.927563 0.000000\n-1.507185 0.000000 9.488497\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948189 0.948189 0.237515 Dy\n0.051811 0.051811 0.762485 Dy\n0.192099 0.192099 0.166183 Gd\n0.807901 0.807901 0.833817 Gd\n0.606051 0.606051 0.440987 Ho\n0.393949 0.393949 0.559013 Ho\n0.092643 0.092643 0.304872 N\n0.907357 0.907357 0.695128 N\n0.460615 0.460615 0.361832 O\n0.539385 0.539385 0.638168 O\n0.367984 0.367984 0.033072 S\n0.632016 0.632016 0.966928 S\n0.784803 0.784803 0.352271 Se\n0.215197 0.215197 0.647729 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-Ho-N-O-S-Se",
"density": 7.337692677022125,
"density_atomic": 0.049434981894598266,
"volume": 283.2002655498044,
"volume_molar": 12.181941874359293,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.459632943247944,
"spacegroup": 12
}
]
}