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{
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"results": [
{
"id": "oqmd-1558200",
"created_at": "2022-09-04T15:55:39.678435Z",
"updated_at": "2022-09-04T15:55:39.678459Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.814036 -1.959663 0.000000\n7.814036 1.959663 0.000000\n-1.195353 0.000000 9.515032\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802632 0.802632 0.329420 Dy\n0.197368 0.197368 0.670580 Dy\n0.901112 0.901112 0.190967 N\n0.098888 0.098888 0.809033 N\n0.046615 0.046615 0.274127 Nd\n0.953385 0.953385 0.725873 Nd\n0.535768 0.535768 0.140031 O\n0.464232 0.464232 0.859969 O\n0.634102 0.634102 0.481999 S\n0.365898 0.365898 0.518001 S\n0.213631 0.213631 0.152494 Se\n0.786369 0.786369 0.847506 Se\n0.392203 0.392203 0.056262 Tb\n0.607797 0.607797 0.943738 Tb\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.04804309596794092,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
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{
"id": "oqmd-1557673",
"created_at": "2022-09-04T15:55:39.853562Z",
"updated_at": "2022-09-04T15:55:39.853588Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.678480 -1.906463 0.000000\n7.678480 1.906463 0.000000\n-1.548824 0.000000 9.404289\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.808537 0.808537 0.334945 Dy\n0.191463 0.191463 0.665055 Dy\n0.052405 0.052405 0.263334 Er\n0.947595 0.947595 0.736666 Er\n0.393630 0.393630 0.059843 Ho\n0.606370 0.606370 0.940157 Ho\n0.908000 0.908000 0.198704 N\n0.092000 0.092000 0.801296 N\n0.539897 0.539897 0.139353 O\n0.460103 0.460103 0.860647 O\n0.632862 0.632862 0.466321 S\n0.367138 0.367138 0.533679 S\n0.215233 0.215233 0.149686 Se\n0.784767 0.784767 0.850314 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.668062673356239,
"density_atomic": 0.05084736298699976,
"volume": 275.33384580001535,
"volume_molar": 11.843565538570196,
"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
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"formation_energy": -2.470119712176516,
"spacegroup": 12
},
{
"id": "oqmd-1557771",
"created_at": "2022-09-04T15:55:39.878987Z",
"updated_at": "2022-09-04T15:55:39.879005Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.527872 -1.920936 0.000000\n7.527872 1.920936 0.000000\n-1.511763 0.000000 9.508977\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050685 0.050685 0.254887 Er\n0.949315 0.949315 0.745113 Er\n0.389132 0.389132 0.054284 Ho\n0.610868 0.610868 0.945716 Ho\n0.904390 0.904390 0.187364 N\n0.095610 0.095610 0.812636 N\n0.539949 0.539949 0.136842 O\n0.460051 0.460051 0.863158 O\n0.214447 0.214447 0.148075 S\n0.785553 0.785553 0.851925 S\n0.629868 0.629868 0.469516 Se\n0.370132 0.370132 0.530484 Se\n0.801303 0.801303 0.320997 Y\n0.198697 0.198697 0.679003 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.788347415840896,
"density_atomic": 0.05090718954670534,
"volume": 275.0102711357804,
"volume_molar": 11.829646880181675,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4884709705098493,
"spacegroup": 12
},
{
"id": "oqmd-1558048",
"created_at": "2022-09-04T15:55:39.193463Z",
"updated_at": "2022-09-04T15:55:39.193479Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.856168 -1.946725 0.000000\n7.856168 1.946725 0.000000\n-1.530789 0.000000 9.598219\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.949972 0.949972 0.230077 Gd\n0.050028 0.050028 0.769923 Gd\n0.192572 0.192572 0.161819 Ho\n0.807428 0.807428 0.838181 Ho\n0.094419 0.094419 0.293168 N\n0.905581 0.905581 0.706832 N\n0.610415 0.610415 0.441216 Nd\n0.389585 0.389585 0.558784 Nd\n0.461551 0.461551 0.355060 O\n0.538449 0.538449 0.644940 O\n0.364034 0.364034 0.028940 S\n0.635966 0.635966 0.971060 S\n0.784727 0.784727 0.339669 Se\n0.215273 0.215273 0.660331 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.871571280328436,
"density_atomic": 0.0476861232500235,
"volume": 293.5864575653694,
"volume_molar": 12.62870694777444,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557675",
"created_at": "2022-09-04T15:55:40.063447Z",
"updated_at": "2022-09-04T15:55:40.063472Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.823976 -1.927924 0.000000\n7.823976 1.927924 0.000000\n-1.628378 0.000000 9.542830\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.808969 0.808969 0.339267 Er\n0.191031 0.191031 0.660733 Er\n0.050982 0.050982 0.268916 Ho\n0.949018 0.949018 0.731084 Ho\n0.907712 0.907712 0.209551 N\n0.092288 0.092288 0.790449 N\n0.389921 0.389921 0.059355 Nd\n0.610079 0.610079 0.940645 Nd\n0.539734 0.539734 0.146618 O\n0.460266 0.460266 0.853382 O\n0.635809 0.635809 0.468640 S\n0.364191 0.364191 0.531360 S\n0.215461 0.215461 0.161199 Se\n0.784539 0.784539 0.838801 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
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],
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"density": 7.123034070693609,
"density_atomic": 0.04862990638162503,
"volume": 287.8886891151809,
"volume_molar": 12.383615779024996,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4208314062241345,
"spacegroup": 12
},
{
"id": "oqmd-1557661",
"created_at": "2022-09-04T15:55:40.010070Z",
"updated_at": "2022-09-04T15:55:40.010103Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.688905 -1.908581 0.000000\n7.688905 1.908581 0.000000\n-1.489503 0.000000 9.369879\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607345 0.607345 0.440611 Dy\n0.392655 0.392655 0.559389 Dy\n0.192940 0.192940 0.165907 Er\n0.807060 0.807060 0.834093 Er\n0.948915 0.948915 0.233555 Ho\n0.051085 0.051085 0.766445 Ho\n0.093284 0.093284 0.299651 N\n0.906716 0.906716 0.700349 N\n0.461004 0.461004 0.358967 O\n0.538996 0.538996 0.641033 O\n0.364922 0.364922 0.030314 S\n0.635078 0.635078 0.969686 S\n0.785019 0.785019 0.348577 Se\n0.214981 0.214981 0.651423 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.677258879975479,
"density_atomic": 0.05090834356005855,
"volume": 275.0040370785912,
"volume_molar": 11.829378720396681,
"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558084",
"created_at": "2022-09-04T15:55:39.319293Z",
"updated_at": "2022-09-04T15:55:39.319312Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672929 -1.956121 0.000000\n7.672929 1.956121 0.000000\n-1.543232 0.000000 9.697019\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952722 0.952722 0.240945 Ho\n0.047278 0.047278 0.759055 Ho\n0.097615 0.097615 0.305579 N\n0.902385 0.902385 0.694421 N\n0.614781 0.614781 0.448176 Nd\n0.385219 0.385219 0.551824 Nd\n0.462013 0.462013 0.356294 O\n0.537987 0.537987 0.643706 O\n0.786923 0.786923 0.339949 S\n0.213077 0.213077 0.660051 S\n0.371130 0.371130 0.029305 Se\n0.628870 0.628870 0.970695 Se\n0.198719 0.198719 0.173692 Tb\n0.801281 0.801281 0.826308 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557682",
"created_at": "2022-09-04T15:55:39.543840Z",
"updated_at": "2022-09-04T15:55:39.543860Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.565408 -1.933068 0.000000\n7.565408 1.933068 0.000000\n-1.568779 0.000000 9.593656\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050466 0.050466 0.253669 Er\n0.949534 0.949534 0.746331 Er\n0.802361 0.802361 0.322183 Gd\n0.197639 0.197639 0.677817 Gd\n0.904653 0.904653 0.187778 N\n0.095347 0.095347 0.812222 N\n0.540239 0.540239 0.137776 O\n0.459761 0.459761 0.862224 O\n0.214408 0.214408 0.148756 S\n0.785592 0.785592 0.851244 S\n0.628162 0.628162 0.468152 Se\n0.371838 0.371838 0.531848 Se\n0.388628 0.388628 0.053512 Y\n0.611372 0.611372 0.946488 Y\n",
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"density": 6.562127814009377,
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558090",
"created_at": "2022-09-04T15:55:39.324463Z",
"updated_at": "2022-09-04T15:55:39.324480Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808644 -1.960693 0.000000\n7.808644 1.960693 0.000000\n-1.182763 0.000000 9.515233\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607102 0.607102 0.443697 Dy\n0.392898 0.392898 0.556303 Dy\n0.098672 0.098672 0.310872 N\n0.901328 0.901328 0.689128 N\n0.953275 0.953275 0.226797 Nd\n0.046725 0.046725 0.773203 Nd\n0.464213 0.464213 0.360901 O\n0.535787 0.535787 0.639099 O\n0.366574 0.366574 0.018629 S\n0.633426 0.633426 0.981371 S\n0.786489 0.786489 0.349563 Se\n0.213511 0.213511 0.650437 Se\n0.197681 0.197681 0.171137 Tb\n0.802319 0.802319 0.828863 Tb\n",
"nsites": 14,
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"elements": [
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"density": 6.915400446071131,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557680",
"created_at": "2022-09-04T15:55:39.500604Z",
"updated_at": "2022-09-04T15:55:39.500631Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716663 -1.915558 0.000000\n7.716663 1.915558 0.000000\n-1.580946 0.000000 9.465865\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.947538 0.947538 0.236805 Er\n0.052462 0.052462 0.763195 Er\n0.091558 0.091558 0.299062 N\n0.908442 0.908442 0.700938 N\n0.459815 0.459815 0.359736 O\n0.540185 0.540185 0.640264 O\n0.366607 0.366607 0.035143 S\n0.633393 0.633393 0.964857 S\n0.784505 0.784505 0.347994 Se\n0.215495 0.215495 0.652006 Se\n0.607293 0.607293 0.440100 Tb\n0.392707 0.392707 0.559900 Tb\n0.191208 0.191208 0.163442 Y\n0.808792 0.808792 0.836558 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.599841106528378,
"density_atomic": 0.0500279714256911,
"volume": 279.84344759600856,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.367828702128899,
"spacegroup": 12
},
{
"id": "oqmd-1558193",
"created_at": "2022-09-04T15:55:39.634287Z",
"updated_at": "2022-09-04T15:55:39.634315Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.634535 -1.956543 0.000000\n7.634535 1.956543 0.000000\n-1.650273 0.000000 9.765676\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948905 0.948905 0.251384 Ho\n0.051095 0.051095 0.748616 Ho\n0.094266 0.094266 0.317150 N\n0.905734 0.905734 0.682850 N\n0.195816 0.195816 0.176078 Nd\n0.804184 0.804184 0.823922 Nd\n0.460264 0.460264 0.364964 O\n0.539736 0.539736 0.635036 O\n0.785802 0.785802 0.353266 S\n0.214198 0.214198 0.646734 S\n0.374983 0.374983 0.037988 Se\n0.625017 0.625017 0.962012 Se\n0.610889 0.610889 0.448251 Tb\n0.389111 0.389111 0.551749 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.934001174345058,
"density_atomic": 0.04798701558857453,
"volume": 291.7455863484315,
"volume_molar": 12.54952133642135,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3474378804622305,
"spacegroup": 12
},
{
"id": "oqmd-1557753",
"created_at": "2022-09-04T15:55:40.025931Z",
"updated_at": "2022-09-04T15:55:40.025946Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.720983 -1.914954 0.000000\n7.720983 1.914954 0.000000\n-1.571091 0.000000 9.443002\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.051852 0.051852 0.265302 Er\n0.948148 0.948148 0.734698 Er\n0.391946 0.391946 0.059640 Gd\n0.608054 0.608054 0.940360 Gd\n0.808514 0.808514 0.336687 Ho\n0.191486 0.191486 0.663313 Ho\n0.907778 0.907778 0.203088 N\n0.092222 0.092222 0.796912 N\n0.539794 0.539794 0.142103 O\n0.460206 0.460206 0.857897 O\n0.634067 0.634067 0.466924 S\n0.365933 0.365933 0.533076 S\n0.215243 0.215243 0.153818 Se\n0.784757 0.784757 0.846182 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Ho",
"N",
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"S",
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],
"chemical_system": "Er-Gd-Ho-N-O-S-Se",
"density": 7.498472256461092,
"density_atomic": 0.05013684670611212,
"volume": 279.235750147272,
"volume_molar": 12.011407090079016,
"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4612867301527066,
"spacegroup": 12
}
]
}