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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=22",
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"results": [
{
"id": "oqmd-1558144",
"created_at": "2022-09-04T15:55:41.452249Z",
"updated_at": "2022-09-04T15:55:41.452267Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.683426 -1.961848 0.000000\n7.683426 1.961848 0.000000\n-1.467403 0.000000 9.689560\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799925 0.799925 0.324036 Dy\n0.200075 0.200075 0.675964 Dy\n0.901034 0.901034 0.193273 N\n0.098966 0.098966 0.806727 N\n0.385249 0.385249 0.051579 Nd\n0.614751 0.614751 0.948421 Nd\n0.537600 0.537600 0.144213 O\n0.462400 0.462400 0.855787 O\n0.213037 0.213037 0.160075 S\n0.786963 0.786963 0.839925 S\n0.630195 0.630195 0.475316 Se\n0.369805 0.369805 0.524684 Se\n0.046601 0.046601 0.262530 Tb\n0.953399 0.953399 0.737470 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density_atomic": 0.047926279339329504,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"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": [
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"N",
"O",
"S",
"Se",
"Tb"
],
"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-1558256",
"created_at": "2022-09-04T15:55:42.212225Z",
"updated_at": "2022-09-04T15:55:42.212235Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.806934 -1.951799 0.000000\n7.806934 1.951799 0.000000\n-1.650286 0.000000 9.665976\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.394856 0.394856 0.058317 Dy\n0.605144 0.605144 0.941683 Dy\n0.909914 0.909914 0.191884 N\n0.090086 0.090086 0.808116 N\n0.810658 0.810658 0.335064 Nd\n0.189342 0.189342 0.664936 Nd\n0.540404 0.540404 0.135350 O\n0.459596 0.459596 0.864650 O\n0.630433 0.630433 0.460398 S\n0.369567 0.369567 0.539602 S\n0.216186 0.216186 0.144529 Se\n0.783814 0.783814 0.855471 Se\n0.054260 0.054260 0.256951 Tb\n0.945740 0.945740 0.743049 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": 6.840071971237495,
"density_atomic": 0.047526598038103655,
"volume": 294.5718940113436,
"volume_molar": 12.671095783400801,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.326971165938422,
"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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"Nd",
"O",
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],
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"density": 6.766030498155324,
"density_atomic": 0.047422504193497646,
"volume": 295.2184883125513,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558198",
"created_at": "2022-09-04T15:55:41.626956Z",
"updated_at": "2022-09-04T15:55:41.626984Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833626 -1.960004 0.000000\n7.833626 1.960004 0.000000\n-1.634112 0.000000 9.692861\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.053843 0.053843 0.258653 Gd\n0.946157 0.946157 0.741347 Gd\n0.909285 0.909285 0.192505 N\n0.090715 0.090715 0.807495 N\n0.809839 0.809839 0.334765 Nd\n0.190161 0.190161 0.665235 Nd\n0.540035 0.540035 0.136051 O\n0.459965 0.459965 0.863949 O\n0.631151 0.631151 0.461848 S\n0.368849 0.368849 0.538152 S\n0.215980 0.215980 0.145029 Se\n0.784020 0.784020 0.854971 Se\n0.394402 0.394402 0.058034 Tb\n0.605598 0.605598 0.941966 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.710822187821765,
"density_atomic": 0.04703555407126232,
"volume": 297.6471793824087,
"volume_molar": 12.803380078984535,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.320485873200327,
"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,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
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],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 7.0132704311542,
"density_atomic": 0.04886496270517005,
"volume": 286.5038511227342,
"volume_molar": 12.32404656959421,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4409635734860404,
"spacegroup": 12
},
{
"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",
"nsites": 14,
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"elements": [
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"density": 6.904260275864669,
"density_atomic": 0.04791297259880675,
"volume": 292.1964395160208,
"volume_molar": 12.568914916687882,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558126",
"created_at": "2022-09-04T15:55:41.651747Z",
"updated_at": "2022-09-04T15:55:41.651773Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.606949 -1.972124 0.000000\n7.606949 1.972124 0.000000\n-0.591889 0.000000 9.492670\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.386426 0.386426 0.045516 Dy\n0.613574 0.613574 0.954484 Dy\n0.890227 0.890227 0.171746 N\n0.109773 0.109773 0.828254 N\n0.031087 0.031087 0.275271 Nd\n0.968913 0.968913 0.724729 Nd\n0.529522 0.529522 0.143374 O\n0.470478 0.470478 0.856626 O\n0.205959 0.205959 0.155034 S\n0.794041 0.794041 0.844966 S\n0.376667 0.376667 0.499618 Se\n0.623333 0.623333 0.500382 Se\n0.786460 0.786460 0.314462 Tb\n0.213540 0.213540 0.685538 Tb\n",
"nsites": 14,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558235",
"created_at": "2022-09-04T15:55:41.668491Z",
"updated_at": "2022-09-04T15:55:41.668518Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.620700 -1.971467 0.000000\n7.620700 1.971467 0.000000\n-0.765535 0.000000 9.521468\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.211341 0.211341 0.185673 Dy\n0.788659 0.788659 0.814327 Dy\n0.108373 0.108373 0.324957 N\n0.891627 0.891627 0.675043 N\n0.965590 0.965590 0.226018 Nd\n0.034410 0.034410 0.773982 Nd\n0.468848 0.468848 0.356984 O\n0.531152 0.531152 0.643016 O\n0.792197 0.792197 0.344655 S\n0.207803 0.207803 0.655345 S\n0.373755 0.373755 0.003207 Se\n0.626245 0.626245 0.996793 Se\n0.613496 0.613496 0.452870 Tb\n0.386504 0.386504 0.547130 Tb\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1558233",
"created_at": "2022-09-04T15:55:42.145459Z",
"updated_at": "2022-09-04T15:55:42.145474Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.675010 -1.972391 0.000000\n7.675010 1.972391 0.000000\n-1.451681 0.000000 9.744770\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952527 0.952527 0.245405 Gd\n0.047473 0.047473 0.754595 Gd\n0.097707 0.097707 0.319936 N\n0.902293 0.902293 0.680064 N\n0.200778 0.200778 0.179700 Nd\n0.799222 0.799222 0.820300 Nd\n0.462743 0.462743 0.363726 O\n0.537257 0.537257 0.636274 O\n0.788279 0.788279 0.354491 S\n0.211721 0.211721 0.645509 S\n0.374992 0.374992 0.028902 Se\n0.625008 0.625008 0.971098 Se\n0.611051 0.611051 0.449772 Tb\n0.388949 0.388949 0.550228 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.770238249623098,
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"volume": 295.0350079117574,
"volume_molar": 12.691016762659407,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.337714038914613,
"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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],
"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",
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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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"S",
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],
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"volume": 288.4808122209036,
"volume_molar": 12.409086126810069,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4268237314622305,
"spacegroup": 12
}
]
}