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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=15",
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"results": [
{
"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,
"nelements": 7,
"elements": [
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"Nd",
"O",
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],
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"volume_molar": 12.609027944429176,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
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"formation_energy": -2.3227506611765167,
"spacegroup": 12
},
{
"id": "oqmd-1557176",
"created_at": "2022-09-04T15:55:47.004784Z",
"updated_at": "2022-09-04T15:55:47.004803Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.851951 -1.953688 0.000000\n7.851951 1.953688 0.000000\n-1.538757 0.000000 9.608305\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.949780 0.949780 0.229584 Gd\n0.050220 0.050220 0.770416 Gd\n0.094065 0.094065 0.294459 N\n0.905935 0.905935 0.705541 N\n0.610215 0.610215 0.442051 Nd\n0.389785 0.389785 0.557949 Nd\n0.461271 0.461271 0.354316 O\n0.538729 0.538729 0.645684 O\n0.364035 0.364035 0.029662 S\n0.635965 0.635965 0.970338 S\n0.785388 0.785388 0.341819 Se\n0.214612 0.214612 0.658181 Se\n0.193514 0.193514 0.162435 Y\n0.806486 0.806486 0.837565 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Y",
"density": 5.987075521673897,
"density_atomic": 0.047491782450525766,
"volume": 294.7878407087458,
"volume_molar": 12.680384793460895,
"formula_full": "Nd2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "NdGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.410007779676517,
"spacegroup": 12
},
{
"id": "oqmd-1557643",
"created_at": "2022-09-04T15:55:47.011075Z",
"updated_at": "2022-09-04T15:55:47.011100Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.710890 -1.911651 0.000000\n7.710890 1.911651 0.000000\n-1.507405 0.000000 9.390023\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.807226 0.807226 0.334811 Er\n0.192774 0.192774 0.665189 Er\n0.051147 0.051147 0.266478 Ho\n0.948853 0.948853 0.733522 Ho\n0.906821 0.906821 0.201263 N\n0.093179 0.093179 0.798737 N\n0.539564 0.539564 0.141591 O\n0.460436 0.460436 0.858409 O\n0.635044 0.635044 0.469625 S\n0.364956 0.364956 0.530375 S\n0.215141 0.215141 0.152010 Se\n0.784859 0.784859 0.847990 Se\n0.392430 0.392430 0.059727 Y\n0.607570 0.607570 0.940273 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.743777098350207,
"density_atomic": 0.05057294772588152,
"volume": 276.82784234535086,
"volume_molar": 11.907830234934224,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4587715397955634,
"spacegroup": 12
},
{
"id": "oqmd-1557991",
"created_at": "2022-09-04T15:55:41.205585Z",
"updated_at": "2022-09-04T15:55:41.205596Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.711516 -1.919271 0.000000\n7.711516 1.919271 0.000000\n-1.559385 0.000000 9.459320\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.191409 0.191409 0.164374 Dy\n0.808591 0.808591 0.835626 Dy\n0.947949 0.947949 0.236122 Ho\n0.052051 0.052051 0.763878 Ho\n0.092179 0.092179 0.300142 N\n0.907821 0.907821 0.699858 N\n0.459879 0.459879 0.359844 O\n0.540121 0.540121 0.640156 O\n0.366769 0.366769 0.032704 S\n0.633231 0.633231 0.967296 S\n0.784413 0.784413 0.348249 Se\n0.215587 0.215587 0.651751 Se\n0.607353 0.607353 0.440616 Tb\n0.392647 0.392647 0.559384 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"density": 7.44129412878637,
"density_atomic": 0.04999908507302368,
"volume": 280.00512368482333,
"volume_molar": 12.0445019167944,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3692050335574697,
"spacegroup": 12
},
{
"id": "oqmd-1557236",
"created_at": "2022-09-04T15:55:47.180433Z",
"updated_at": "2022-09-04T15:55:47.180443Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.807364 -1.960397 0.000000\n7.807364 1.960397 0.000000\n-1.262576 0.000000 9.526440\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.097578 0.097578 0.306891 N\n0.902422 0.902422 0.693109 N\n0.951276 0.951276 0.225356 Nd\n0.048724 0.048724 0.774644 Nd\n0.462860 0.462860 0.359888 O\n0.537140 0.537140 0.640112 O\n0.363153 0.363153 0.020090 S\n0.636847 0.636847 0.979910 S\n0.786137 0.786137 0.351058 Se\n0.213863 0.213863 0.648942 Se\n0.607223 0.607223 0.442381 Tb\n0.392777 0.392777 0.557619 Tb\n0.198074 0.198074 0.171145 Y\n0.801926 0.801926 0.828855 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"N",
"Nd",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-Nd-O-S-Se-Tb-Y",
"density": 6.0713069388744305,
"density_atomic": 0.04800858949550993,
"volume": 291.61448288976226,
"volume_molar": 12.543881882976857,
"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.325554678557469,
"spacegroup": 12
},
{
"id": "oqmd-1557263",
"created_at": "2022-09-04T15:55:47.245133Z",
"updated_at": "2022-09-04T15:55:47.245154Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.644923 -1.966400 0.000000\n7.644923 1.966400 0.000000\n-1.601807 0.000000 9.741963\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.095274 0.095274 0.317445 N\n0.904726 0.904726 0.682555 N\n0.197945 0.197945 0.177913 Nd\n0.802055 0.802055 0.822087 Nd\n0.460696 0.460696 0.364350 O\n0.539304 0.539304 0.635650 O\n0.786531 0.786531 0.355007 S\n0.213469 0.213469 0.644993 S\n0.374702 0.374702 0.034113 Se\n0.625298 0.625298 0.965887 Se\n0.610647 0.610647 0.448441 Tb\n0.389353 0.389353 0.551559 Tb\n0.949333 0.949333 0.247997 Y\n0.050667 0.050667 0.752003 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"N",
"Nd",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-Nd-O-S-Se-Tb-Y",
"density": 6.044631445890674,
"density_atomic": 0.04779765422158274,
"volume": 292.90140338473736,
"volume_molar": 12.599239142745919,
"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3364951128431835,
"spacegroup": 12
},
{
"id": "oqmd-1557469",
"created_at": "2022-09-04T15:55:47.274812Z",
"updated_at": "2022-09-04T15:55:47.274828Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.702511 -1.916502 0.000000\n7.702511 1.916502 0.000000\n-1.436014 0.000000 9.387359\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806060 0.806060 0.332492 Er\n0.193940 0.193940 0.667508 Er\n0.393272 0.393272 0.059491 Ho\n0.606728 0.606728 0.940509 Ho\n0.905727 0.905727 0.197591 N\n0.094273 0.094273 0.802409 N\n0.538812 0.538812 0.139463 O\n0.461188 0.461188 0.860537 O\n0.635694 0.635694 0.472086 S\n0.364306 0.364306 0.527914 S\n0.215224 0.215224 0.150131 Se\n0.784776 0.784776 0.849869 Se\n0.051033 0.051033 0.267811 Tb\n0.948967 0.948967 0.732189 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Ho",
"N",
"O",
"S",
"Se",
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],
"chemical_system": "Er-Ho-N-O-S-Se-Tb",
"density": 7.5749767254822,
"density_atomic": 0.05051414530107432,
"volume": 277.1500916536789,
"volume_molar": 11.921691882752539,
"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.373547804747945,
"spacegroup": 12
},
{
"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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"Nd",
"O",
"S",
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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",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.330445741890802,
"spacegroup": 12
},
{
"id": "oqmd-1557241",
"created_at": "2022-09-04T15:55:47.914998Z",
"updated_at": "2022-09-04T15:55:47.915029Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.721372 -1.923324 0.000000\n7.721372 1.923324 0.000000\n-1.512038 0.000000 9.464826\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.948384 0.948384 0.234831 Dy\n0.051616 0.051616 0.765169 Dy\n0.092780 0.092780 0.300670 N\n0.907220 0.907220 0.699330 N\n0.460517 0.460517 0.359694 O\n0.539483 0.539483 0.640306 O\n0.365944 0.365944 0.031950 S\n0.634056 0.634056 0.968050 S\n0.784861 0.784861 0.348734 Se\n0.215139 0.215139 0.651266 Se\n0.607302 0.607302 0.440562 Tb\n0.392698 0.392698 0.559438 Tb\n0.192621 0.192621 0.165062 Y\n0.807379 0.807379 0.834938 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.513682762678166,
"density_atomic": 0.04980104757520157,
"volume": 281.118584480767,
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"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbDyYSeSNO",
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"formation_energy": -2.3641287102241364,
"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,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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"Tb"
],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"density": 7.479135578306652,
"density_atomic": 0.05025334700933551,
"volume": 278.5884091939038,
"volume_molar": 11.983561530501191,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.390705398557469,
"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",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.844003981077564,
"density_atomic": 0.047685598690702685,
"volume": 293.58968712559323,
"volume_molar": 12.62884586824773,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4338021134860406,
"spacegroup": 12
},
{
"id": "oqmd-1558181",
"created_at": "2022-09-04T15:55:41.565438Z",
"updated_at": "2022-09-04T15:55:41.565462Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.698245 -1.969571 0.000000\n7.698245 1.969571 0.000000\n-1.491898 0.000000 9.735319\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199999 0.199999 0.175528 Gd\n0.800001 0.800001 0.824472 Gd\n0.098496 0.098496 0.308023 N\n0.901504 0.901504 0.691977 N\n0.614471 0.614471 0.448702 Nd\n0.385529 0.385529 0.551298 Nd\n0.462327 0.462327 0.356337 O\n0.537673 0.537673 0.643663 O\n0.787392 0.787392 0.341861 S\n0.212608 0.212608 0.658139 S\n0.371181 0.371181 0.026397 Se\n0.628819 0.628819 0.973603 Se\n0.953202 0.953202 0.239152 Tb\n0.046798 0.046798 0.760848 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.766030498155324,
"density_atomic": 0.047422504193497646,
"volume": 295.2184883125513,
"volume_molar": 12.698909225518564,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.336306594628898,
"spacegroup": 12
}
]
}