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{
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"results": [
{
"id": "oqmd-1557760",
"created_at": "2022-09-04T15:55:40.096340Z",
"updated_at": "2022-09-04T15:55:40.096367Z",
"structure_string": "Dy2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.713279 -1.917639 0.000000\n7.713279 1.917639 0.000000\n-1.475475 0.000000 9.395886\nDy Er N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.607017 0.607017 0.440383 Dy\n0.392983 0.392983 0.559617 Dy\n0.193498 0.193498 0.166533 Er\n0.806502 0.806502 0.833467 Er\n0.093944 0.093944 0.300349 N\n0.906056 0.906056 0.699651 N\n0.461121 0.461121 0.359874 O\n0.538879 0.538879 0.640126 O\n0.364522 0.364522 0.028978 S\n0.635478 0.635478 0.971022 S\n0.784857 0.784857 0.348620 Se\n0.215143 0.215143 0.651380 Se\n0.948900 0.948900 0.232386 Y\n0.051100 0.051100 0.767614 Y\n",
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},
{
"id": "oqmd-1558042",
"created_at": "2022-09-04T15:55:41.275029Z",
"updated_at": "2022-09-04T15:55:41.275048Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.651168 -1.964002 0.000000\n7.651168 1.964002 0.000000\n-1.494934 0.000000 9.728209\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389559 0.389559 0.050734 Dy\n0.610441 0.610441 0.949266 Dy\n0.903321 0.903321 0.179582 N\n0.096679 0.096679 0.820418 N\n0.800424 0.800424 0.320538 Nd\n0.199576 0.199576 0.679462 Nd\n0.537881 0.537881 0.135458 O\n0.462119 0.462119 0.864542 O\n0.212291 0.212291 0.144698 S\n0.787709 0.787709 0.855302 S\n0.624649 0.624649 0.468590 Se\n0.375351 0.375351 0.531410 Se\n0.048433 0.048433 0.252514 Tb\n0.951567 0.951567 0.747486 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"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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],
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"density": 7.383699847923878,
"density_atomic": 0.049844192149314584,
"volume": 280.87525138457914,
"volume_molar": 12.08193071313086,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557803",
"created_at": "2022-09-04T15:55:38.389552Z",
"updated_at": "2022-09-04T15:55:38.389576Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.726134 -1.920313 0.000000\n7.726134 1.920313 0.000000\n-1.493108 0.000000 9.413552\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.193402 0.193402 0.165711 Er\n0.806598 0.806598 0.834289 Er\n0.093823 0.093823 0.298761 N\n0.906177 0.906177 0.701239 N\n0.461076 0.461076 0.359089 O\n0.538924 0.538924 0.640911 O\n0.364421 0.364421 0.029144 S\n0.635579 0.635579 0.970856 S\n0.784842 0.784842 0.347394 Se\n0.215158 0.215158 0.652606 Se\n0.607479 0.607479 0.440447 Tb\n0.392521 0.392521 0.559553 Tb\n0.948891 0.948891 0.232027 Y\n0.051109 0.051109 0.767973 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558138",
"created_at": "2022-09-04T15:55:39.483115Z",
"updated_at": "2022-09-04T15:55:39.483143Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.661233 -1.952438 0.000000\n7.661233 1.952438 0.000000\n-1.518961 0.000000 9.672597\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.199100 0.199100 0.174220 Dy\n0.800900 0.800900 0.825780 Dy\n0.952972 0.952972 0.239678 Ho\n0.047028 0.047028 0.760322 Ho\n0.097980 0.097980 0.305155 N\n0.902020 0.902020 0.694845 N\n0.614844 0.614844 0.448045 Nd\n0.385156 0.385156 0.551955 Nd\n0.462006 0.462006 0.355595 O\n0.537994 0.537994 0.644405 O\n0.787021 0.787021 0.339081 S\n0.212979 0.212979 0.660919 S\n0.370436 0.370436 0.027916 Se\n0.629564 0.629564 0.972084 Se\n",
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"elements": [
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"density": 7.032024674318433,
"density_atomic": 0.04838146603102246,
"volume": 289.3670065934572,
"volume_molar": 12.447206035754624,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
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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,
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"elements": [
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"density_atomic": 0.050004239934898394,
"volume": 279.97625837782766,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557667",
"created_at": "2022-09-04T15:55:39.681259Z",
"updated_at": "2022-09-04T15:55:39.681286Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.795127 -1.950898 0.000000\n7.795127 1.950898 0.000000\n-1.560777 0.000000 9.625856\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.604415 0.604415 0.442470 Er\n0.395585 0.395585 0.557530 Er\n0.947397 0.947397 0.240510 Gd\n0.052603 0.052603 0.759490 Gd\n0.091812 0.091812 0.311069 N\n0.908188 0.908188 0.688931 N\n0.192235 0.192235 0.167877 Nd\n0.807765 0.807765 0.832123 Nd\n0.461067 0.461067 0.365134 O\n0.538933 0.538933 0.634866 O\n0.369865 0.369865 0.035849 S\n0.630135 0.630135 0.964151 S\n0.785247 0.785247 0.358143 Se\n0.214753 0.214753 0.641857 Se\n",
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"elements": [
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"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557692",
"created_at": "2022-09-04T15:55:37.672546Z",
"updated_at": "2022-09-04T15:55:37.672565Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.558964 -1.932118 0.000000\n7.558964 1.932118 0.000000\n-1.578969 0.000000 9.581831\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.388805 0.388805 0.053169 Dy\n0.611195 0.611195 0.946831 Dy\n0.050857 0.050857 0.253640 Er\n0.949143 0.949143 0.746360 Er\n0.802071 0.802071 0.321570 Gd\n0.197929 0.197929 0.678430 Gd\n0.904768 0.904768 0.186927 N\n0.095232 0.095232 0.813073 N\n0.540155 0.540155 0.136765 O\n0.459845 0.459845 0.863235 O\n0.214103 0.214103 0.147449 S\n0.785897 0.785897 0.852551 S\n0.628359 0.628359 0.468245 Se\n0.371641 0.371641 0.531755 Se\n",
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{
"id": "oqmd-1557695",
"created_at": "2022-09-04T15:55:37.688917Z",
"updated_at": "2022-09-04T15:55:37.688942Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.556931 -1.940994 0.000000\n7.556931 1.940994 0.000000\n-1.289886 0.000000 9.512560\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610754 0.610754 0.447628 Er\n0.389246 0.389246 0.552372 Er\n0.952619 0.952619 0.239196 Gd\n0.047381 0.047381 0.760804 Gd\n0.099086 0.099086 0.318183 N\n0.900914 0.900914 0.681817 N\n0.462268 0.462268 0.363038 O\n0.537732 0.537732 0.636962 O\n0.786775 0.786775 0.352429 S\n0.213225 0.213225 0.647571 S\n0.370337 0.370337 0.021656 Se\n0.629663 0.629663 0.978344 Se\n0.202385 0.202385 0.182904 Y\n0.797615 0.797615 0.817096 Y\n",
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"elements": [
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},
{
"id": "oqmd-1558184",
"created_at": "2022-09-04T15:55:39.568648Z",
"updated_at": "2022-09-04T15:55:39.568666Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.856618 -1.943926 0.000000\n7.856618 1.943926 0.000000\n-1.658216 0.000000 9.632963\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051904 0.051904 0.265554 Dy\n0.948096 0.948096 0.734446 Dy\n0.908385 0.908385 0.206623 N\n0.091615 0.091615 0.793377 N\n0.390259 0.390259 0.058695 Nd\n0.609741 0.609741 0.941305 Nd\n0.539865 0.539865 0.144388 O\n0.460135 0.460135 0.855612 O\n0.634512 0.634512 0.465709 S\n0.365488 0.365488 0.534291 S\n0.216047 0.216047 0.159097 Se\n0.783953 0.783953 0.840903 Se\n0.810319 0.810319 0.339561 Tb\n0.189681 0.189681 0.660439 Tb\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.04757981857503874,
"volume": 294.24239980907913,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.32168095808128,
"spacegroup": 12
},
{
"id": "oqmd-1557738",
"created_at": "2022-09-04T15:55:38.175005Z",
"updated_at": "2022-09-04T15:55:38.175019Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.706814 -1.911863 0.000000\n7.706814 1.911863 0.000000\n-1.556692 0.000000 9.421802\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948135 0.948135 0.235070 Er\n0.051865 0.051865 0.764930 Er\n0.191644 0.191644 0.164067 Ho\n0.808356 0.808356 0.835933 Ho\n0.092266 0.092266 0.298316 N\n0.907734 0.907734 0.701684 N\n0.460242 0.460242 0.358674 O\n0.539758 0.539758 0.641326 O\n0.366087 0.366087 0.032864 S\n0.633913 0.633913 0.967136 S\n0.784776 0.784776 0.347468 Se\n0.215224 0.215224 0.652532 Se\n0.607517 0.607517 0.440317 Tb\n0.392483 0.392483 0.559683 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.56137390768283,
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"volume": 277.64868122825516,
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.372669718319373,
"spacegroup": 12
},
{
"id": "oqmd-1557751",
"created_at": "2022-09-04T15:55:39.975099Z",
"updated_at": "2022-09-04T15:55:39.975120Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.643697 -1.945636 0.000000\n7.643697 1.945636 0.000000\n-1.557793 0.000000 9.637809\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198565 0.198565 0.174175 Er\n0.801435 0.801435 0.825825 Er\n0.951479 0.951479 0.238406 Ho\n0.048521 0.048521 0.761594 Ho\n0.097326 0.097326 0.302417 N\n0.902674 0.902674 0.697583 N\n0.615001 0.615001 0.447225 Nd\n0.384999 0.384999 0.552775 Nd\n0.461056 0.461056 0.355535 O\n0.538944 0.538944 0.644465 O\n0.785682 0.785682 0.338760 S\n0.214318 0.214318 0.661240 S\n0.368414 0.368414 0.027711 Se\n0.631586 0.631586 0.972289 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.153461702366838,
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"volume_molar": 12.330941407457132,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.442575003366992,
"spacegroup": 12
}
]
}