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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=12",
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"results": [
{
"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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"density": 6.513682762678166,
"density_atomic": 0.04980104757520157,
"volume": 281.118584480767,
"volume_molar": 12.092397757108076,
"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558012",
"created_at": "2022-09-04T15:55:41.346590Z",
"updated_at": "2022-09-04T15:55:41.346619Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.874747 -1.952498 0.000000\n7.874747 1.952498 0.000000\n-1.642879 0.000000 9.664094\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.190280 0.190280 0.160917 Gd\n0.809720 0.809720 0.839083 Gd\n0.092014 0.092014 0.294852 N\n0.907986 0.907986 0.705148 N\n0.609636 0.609636 0.441695 Nd\n0.390364 0.390364 0.558305 Nd\n0.460413 0.460413 0.356206 O\n0.539587 0.539587 0.643794 O\n0.365731 0.365731 0.034036 S\n0.634269 0.634269 0.965964 S\n0.784181 0.784181 0.342176 Se\n0.215819 0.215819 0.657824 Se\n0.948236 0.948236 0.234401 Tb\n0.051764 0.051764 0.765599 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.7213909136683325,
"density_atomic": 0.047109629327930974,
"volume": 297.1791584804404,
"volume_molar": 12.783248023625427,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.316020296771756,
"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,
"nelements": 7,
"elements": [
"Dy",
"Er",
"N",
"O",
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"Se",
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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-1557746",
"created_at": "2022-09-04T15:55:41.125657Z",
"updated_at": "2022-09-04T15:55:41.125679Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.826433 -1.932407 0.000000\n7.826433 1.932407 0.000000\n-1.672560 0.000000 9.597758\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051594 0.051594 0.265558 Er\n0.948406 0.948406 0.734442 Er\n0.908850 0.908850 0.208833 N\n0.091150 0.091150 0.791167 N\n0.390134 0.390134 0.059472 Nd\n0.609866 0.609866 0.940528 Nd\n0.540083 0.540083 0.145782 O\n0.459917 0.459917 0.854218 O\n0.634492 0.634492 0.464414 S\n0.365508 0.365508 0.535586 S\n0.215383 0.215383 0.159723 Se\n0.784617 0.784617 0.840277 Se\n0.809735 0.809735 0.340526 Y\n0.190265 0.190265 0.659474 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-N-Nd-O-S-Se-Y",
"density": 6.19391899214906,
"density_atomic": 0.048224282076560196,
"volume": 290.3101797922838,
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"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4165046593193744,
"spacegroup": 12
},
{
"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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],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"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-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": [
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"O",
"S",
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],
"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
},
{
"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",
"nsites": 14,
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"elements": [
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],
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"density": 7.026662051140653,
"density_atomic": 0.04834457031703832,
"volume": 289.58784633288815,
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"formation_energy": -2.442565007890801,
"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,
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"elements": [
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"density": 7.249725876040528,
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558088",
"created_at": "2022-09-04T15:55:41.942615Z",
"updated_at": "2022-09-04T15:55:41.942638Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790878 -1.953766 0.000000\n7.790878 1.953766 0.000000\n-1.158142 0.000000 9.476064\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.607398 0.607398 0.443409 Dy\n0.392602 0.392602 0.556591 Dy\n0.197570 0.197570 0.171405 Ho\n0.802430 0.802430 0.828595 Ho\n0.099076 0.099076 0.309707 N\n0.900924 0.900924 0.690293 N\n0.953519 0.953519 0.225159 Nd\n0.046481 0.046481 0.774841 Nd\n0.464227 0.464227 0.360358 O\n0.535773 0.535773 0.639642 O\n0.365417 0.365417 0.016791 S\n0.634583 0.634583 0.983209 S\n0.786223 0.786223 0.347612 Se\n0.213777 0.213777 0.652388 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558217",
"created_at": "2022-09-04T15:55:42.063067Z",
"updated_at": "2022-09-04T15:55:42.063092Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.688671 -1.963432 0.000000\n7.688671 1.963432 0.000000\n-1.419148 0.000000 9.673069\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.953828 0.953828 0.235626 Gd\n0.046172 0.046172 0.764374 Gd\n0.200710 0.200710 0.176711 Ho\n0.799290 0.799290 0.823289 Ho\n0.099775 0.099775 0.306879 N\n0.900225 0.900225 0.693121 N\n0.614841 0.614841 0.448379 Nd\n0.385159 0.385159 0.551621 Nd\n0.462720 0.462720 0.355788 O\n0.537280 0.537280 0.644212 O\n0.786808 0.786808 0.338958 S\n0.213192 0.213192 0.661042 S\n0.368611 0.368611 0.022643 Se\n0.631389 0.631389 0.977357 Se\n",
"nsites": 14,
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"elements": [
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"density": 6.9076551895110425,
"density_atomic": 0.0479365320241492,
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.436097881581278,
"spacegroup": 12
},
{
"id": "oqmd-1558219",
"created_at": "2022-09-04T15:55:42.116548Z",
"updated_at": "2022-09-04T15:55:42.116582Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.840178 -1.935789 0.000000\n7.840178 1.935789 0.000000\n-1.669872 0.000000 9.602109\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.810844 0.810844 0.340020 Dy\n0.189156 0.189156 0.659980 Dy\n0.051828 0.051828 0.265577 Ho\n0.948172 0.948172 0.734423 Ho\n0.908582 0.908582 0.207874 N\n0.091418 0.091418 0.792126 N\n0.390095 0.390095 0.058973 Nd\n0.609905 0.609905 0.941027 Nd\n0.539967 0.539967 0.145068 O\n0.460033 0.460033 0.854932 O\n0.634640 0.634640 0.465613 S\n0.365360 0.365360 0.534387 S\n0.216159 0.216159 0.160381 Se\n0.783841 0.783841 0.839619 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.981501406010346,
"density_atomic": 0.0480338577812461,
"volume": 291.4610786366202,
"volume_molar": 12.537283154365399,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4192644928908016,
"spacegroup": 12
},
{
"id": "oqmd-1557103",
"created_at": "2022-09-04T15:55:46.731062Z",
"updated_at": "2022-09-04T15:55:46.731084Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.819115 -1.938038 0.000000\n7.819115 1.938038 0.000000\n-1.632303 0.000000 9.598570\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.948586 0.948586 0.233746 Ho\n0.051414 0.051414 0.766254 Ho\n0.091877 0.091877 0.291808 N\n0.908123 0.908123 0.708192 N\n0.610340 0.610340 0.440954 Nd\n0.389660 0.389660 0.559046 Nd\n0.460076 0.460076 0.354811 O\n0.539924 0.539924 0.645189 O\n0.365467 0.365467 0.034915 S\n0.634533 0.634533 0.965085 S\n0.784603 0.784603 0.340332 Se\n0.215397 0.215397 0.659668 Se\n0.190858 0.190858 0.159259 Y\n0.809142 0.809142 0.840741 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Y",
"density": 6.154594888800302,
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"volume": 290.9085066281944,
"volume_molar": 12.51351410854557,
"formula_full": "Nd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4160372855098493,
"spacegroup": 12
}
]
}