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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=27",
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"results": [
{
"id": "oqmd-1557234",
"created_at": "2022-09-04T15:55:45.572208Z",
"updated_at": "2022-09-04T15:55:45.572226Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.621793 -1.960372 0.000000\n7.621793 1.960372 0.000000\n-1.571025 0.000000 9.706043\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.390452 0.390452 0.051785 Ho\n0.609548 0.609548 0.948215 Ho\n0.904756 0.904756 0.180154 N\n0.095244 0.095244 0.819846 N\n0.801739 0.801739 0.320534 Nd\n0.198261 0.198261 0.679466 Nd\n0.539270 0.539270 0.134299 O\n0.460730 0.460730 0.865701 O\n0.213386 0.213386 0.142763 S\n0.786614 0.786614 0.857237 S\n0.625096 0.625096 0.466312 Se\n0.374904 0.374904 0.533688 Se\n0.050836 0.050836 0.251464 Y\n0.949164 0.949164 0.748536 Y\n",
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"density_atomic": 0.04826809830246942,
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"spacegroup": 12
},
{
"id": "oqmd-1557783",
"created_at": "2022-09-04T15:55:41.399782Z",
"updated_at": "2022-09-04T15:55:41.399819Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.719038 -1.915823 0.000000\n7.719038 1.915823 0.000000\n-1.588977 0.000000 9.466134\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.052410 0.052410 0.262349 Er\n0.947590 0.947590 0.737651 Er\n0.908303 0.908303 0.200036 N\n0.091697 0.091697 0.799964 N\n0.540395 0.540395 0.140093 O\n0.459605 0.459605 0.859907 O\n0.632242 0.632242 0.464886 S\n0.367758 0.367758 0.535114 S\n0.215371 0.215371 0.150446 Se\n0.784629 0.784629 0.849554 Se\n0.809051 0.809051 0.336538 Tb\n0.190949 0.190949 0.663462 Tb\n0.392808 0.392808 0.059665 Y\n0.607192 0.607192 0.940335 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density": 6.596710376578922,
"density_atomic": 0.050004239934898394,
"volume": 279.97625837782766,
"volume_molar": 12.043260267210053,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.359204201414613,
"spacegroup": 12
},
{
"id": "oqmd-1557775",
"created_at": "2022-09-04T15:55:40.096677Z",
"updated_at": "2022-09-04T15:55:40.096710Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.724416 -1.928070 0.000000\n7.724416 1.928070 0.000000\n-1.413332 0.000000 9.450975\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606173 0.606173 0.441159 Er\n0.393827 0.393827 0.558841 Er\n0.948991 0.948991 0.234338 Gd\n0.051009 0.051009 0.765662 Gd\n0.094481 0.094481 0.306373 N\n0.905519 0.905519 0.693627 N\n0.461528 0.461528 0.362557 O\n0.538472 0.538472 0.637443 O\n0.365551 0.365551 0.029574 S\n0.634449 0.634449 0.970426 S\n0.785243 0.785243 0.353616 Se\n0.214757 0.214757 0.646384 Se\n0.194609 0.194609 0.168115 Tb\n0.805391 0.805391 0.831885 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density": 7.367030131478132,
"density_atomic": 0.04973166204019457,
"volume": 281.51080067834437,
"volume_molar": 12.109269051037808,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.362956564628897,
"spacegroup": 12
},
{
"id": "oqmd-1557950",
"created_at": "2022-09-04T15:55:40.551270Z",
"updated_at": "2022-09-04T15:55:40.551298Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.556971 -1.936263 0.000000\n7.556971 1.936263 0.000000\n-1.356708 0.000000 9.513554\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.200895 0.200895 0.182156 Dy\n0.799105 0.799105 0.817844 Dy\n0.610919 0.610919 0.447672 Ho\n0.389081 0.389081 0.552328 Ho\n0.098349 0.098349 0.316425 N\n0.901651 0.901651 0.683575 N\n0.461977 0.461977 0.362360 O\n0.538023 0.538023 0.637640 O\n0.786491 0.786491 0.350620 S\n0.213509 0.213509 0.649380 S\n0.370932 0.370932 0.022866 Se\n0.629068 0.629068 0.977134 Se\n0.952082 0.952082 0.240144 Tb\n0.047918 0.047918 0.759856 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.4839273664319705,
"density_atomic": 0.05028554369689862,
"volume": 278.4100353848507,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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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],
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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",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.470119712176516,
"spacegroup": 12
},
{
"id": "oqmd-1557800",
"created_at": "2022-09-04T15:55:40.120860Z",
"updated_at": "2022-09-04T15:55:40.120891Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.750026 -1.933228 0.000000\n7.750026 1.933228 0.000000\n-1.726737 0.000000 9.622929\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.055413 0.055413 0.254631 Er\n0.944587 0.944587 0.745369 Er\n0.395070 0.395070 0.058315 Ho\n0.604930 0.604930 0.941685 Ho\n0.911497 0.911497 0.192902 N\n0.088503 0.088503 0.807098 N\n0.812256 0.812256 0.336653 Nd\n0.187744 0.187744 0.663347 Nd\n0.541323 0.541323 0.135353 O\n0.458677 0.458677 0.864647 O\n0.629263 0.629263 0.455866 S\n0.370737 0.370737 0.544134 S\n0.216266 0.216266 0.143513 Se\n0.783734 0.783734 0.856487 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.111580174507388,
"density_atomic": 0.04855170910028217,
"volume": 288.35236203700674,
"volume_molar": 12.403560804752393,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4284322205098485,
"spacegroup": 12
},
{
"id": "oqmd-1557764",
"created_at": "2022-09-04T15:55:41.285348Z",
"updated_at": "2022-09-04T15:55:41.285359Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.569462 -1.942343 0.000000\n7.569462 1.942343 0.000000\n-1.398045 0.000000 9.551961\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389920 0.389920 0.052699 Er\n0.610080 0.610080 0.947301 Er\n0.799524 0.799524 0.318441 Gd\n0.200476 0.200476 0.681559 Gd\n0.902533 0.902533 0.182071 N\n0.097467 0.097467 0.817929 N\n0.538380 0.538380 0.136145 O\n0.461620 0.461620 0.863855 O\n0.213630 0.213630 0.146228 S\n0.786370 0.786370 0.853772 S\n0.628223 0.628223 0.474283 Se\n0.371777 0.371777 0.525717 Se\n0.049030 0.049030 0.257436 Tb\n0.950970 0.950970 0.742564 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557797",
"created_at": "2022-09-04T15:55:40.467200Z",
"updated_at": "2022-09-04T15:55:40.467227Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.711466 -1.913529 0.000000\n7.711466 1.913529 0.000000\n-1.570392 0.000000 9.462518\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606777 0.606777 0.440384 Dy\n0.393223 0.393223 0.559616 Dy\n0.947499 0.947499 0.237695 Er\n0.052501 0.052501 0.762305 Er\n0.091736 0.091736 0.301066 N\n0.908264 0.908264 0.698934 N\n0.459805 0.459805 0.360422 O\n0.540195 0.540195 0.639578 O\n0.367842 0.367842 0.035025 S\n0.632158 0.632158 0.964975 S\n0.784738 0.784738 0.349949 Se\n0.215262 0.215262 0.650051 Se\n0.190919 0.190919 0.163842 Tb\n0.809081 0.809081 0.836158 Tb\n",
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"density": 7.488843088855464,
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557785",
"created_at": "2022-09-04T15:55:40.167095Z",
"updated_at": "2022-09-04T15:55:40.167117Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.727247 -1.926905 0.000000\n7.727247 1.926905 0.000000\n-1.465541 0.000000 9.466149\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605633 0.605633 0.441260 Er\n0.394367 0.394367 0.558740 Er\n0.193346 0.193346 0.167793 Gd\n0.806654 0.806654 0.832207 Gd\n0.093353 0.093353 0.306382 N\n0.906647 0.906647 0.693618 N\n0.461047 0.461047 0.362340 O\n0.538953 0.538953 0.637660 O\n0.367290 0.367290 0.031355 S\n0.632710 0.632710 0.968645 S\n0.785286 0.785286 0.354052 Se\n0.214714 0.214714 0.645948 Se\n0.948436 0.948436 0.236055 Tb\n0.051564 0.051564 0.763945 Tb\n",
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},
{
"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",
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"formation_energy": -2.4409635734860404,
"spacegroup": 12
},
{
"id": "oqmd-1557609",
"created_at": "2022-09-04T15:55:50.283076Z",
"updated_at": "2022-09-04T15:55:50.283101Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.581718 -1.962449 0.000000\n7.581718 1.962449 0.000000\n-0.619426 0.000000 9.449412\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.213804 0.213804 0.185608 Er\n0.786196 0.786196 0.814392 Er\n0.110890 0.110890 0.326353 N\n0.889110 0.889110 0.673647 N\n0.969456 0.969456 0.222566 Nd\n0.030544 0.030544 0.777434 Nd\n0.469978 0.469978 0.355034 O\n0.530022 0.530022 0.644966 O\n0.793152 0.793152 0.341918 S\n0.206848 0.206848 0.658082 S\n0.625549 0.625549 0.001788 Se\n0.374451 0.374451 0.998212 Se\n0.614662 0.614662 0.454038 Y\n0.385338 0.385338 0.545962 Y\n",
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],
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"density": 6.394800484452098,
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"volume": 281.19059235726877,
"volume_molar": 12.095495196880377,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.443130866462232,
"spacegroup": 12
},
{
"id": "oqmd-1557716",
"created_at": "2022-09-04T15:55:40.668827Z",
"updated_at": "2022-09-04T15:55:40.668848Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.711719 -1.922167 0.000000\n7.711719 1.922167 0.000000\n-1.515498 0.000000 9.462348\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.947783 0.947783 0.236913 Dy\n0.052217 0.052217 0.763087 Dy\n0.605649 0.605649 0.441139 Er\n0.394351 0.394351 0.558861 Er\n0.192286 0.192286 0.166708 Gd\n0.807714 0.807714 0.833292 Gd\n0.092477 0.092477 0.305521 N\n0.907523 0.907523 0.694479 N\n0.460526 0.460526 0.362326 O\n0.539474 0.539474 0.637674 O\n0.368079 0.368079 0.032824 S\n0.631921 0.631921 0.967176 S\n0.785026 0.785026 0.353771 Se\n0.214974 0.214974 0.646229 Se\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
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"spacegroup": 12
}
]
}