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{
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"results": [
{
"id": "oqmd-1557302",
"created_at": "2022-09-04T15:55:48.057471Z",
"updated_at": "2022-09-04T15:55:48.057489Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.580950 -1.937854 0.000000\n7.580950 1.937854 0.000000\n-1.363772 0.000000 9.520686\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.798762 0.798762 0.319278 Dy\n0.201238 0.201238 0.680722 Dy\n0.901149 0.901149 0.185048 N\n0.098851 0.098851 0.814952 N\n0.538025 0.538025 0.139475 O\n0.461975 0.461975 0.860525 O\n0.213166 0.213166 0.151585 S\n0.786834 0.786834 0.848415 S\n0.628929 0.628929 0.477250 Se\n0.371071 0.371071 0.522750 Se\n0.046997 0.046997 0.260587 Tb\n0.953003 0.953003 0.739413 Tb\n0.388038 0.388038 0.051956 Y\n0.611962 0.611962 0.948044 Y\n",
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{
"id": "oqmd-1557334",
"created_at": "2022-09-04T15:55:48.269201Z",
"updated_at": "2022-09-04T15:55:48.269220Z",
"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.735545 -1.928651 0.000000\n7.735545 1.928651 0.000000\n-1.549896 0.000000 9.496838\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.947925 0.947925 0.237155 Dy\n0.052075 0.052075 0.762845 Dy\n0.191637 0.191637 0.164831 Gd\n0.808363 0.808363 0.835169 Gd\n0.092248 0.092248 0.302798 N\n0.907752 0.907752 0.697202 N\n0.459978 0.459978 0.360621 O\n0.540022 0.540022 0.639379 O\n0.367893 0.367893 0.033268 S\n0.632107 0.632107 0.966732 S\n0.784681 0.784681 0.350850 Se\n0.215319 0.215319 0.649150 Se\n0.607075 0.607075 0.441077 Y\n0.392925 0.392925 0.558923 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Gd2 Dy2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557592",
"created_at": "2022-09-04T15:55:48.523128Z",
"updated_at": "2022-09-04T15:55:48.523157Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.734810 -1.920391 0.000000\n7.734810 1.920391 0.000000\n-1.600731 0.000000 9.502446\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.052279 0.052279 0.262936 Er\n0.947721 0.947721 0.737064 Er\n0.392109 0.392109 0.059450 Gd\n0.607891 0.607891 0.940550 Gd\n0.908308 0.908308 0.201654 N\n0.091692 0.091692 0.798346 N\n0.540361 0.540361 0.140897 O\n0.459639 0.459639 0.859103 O\n0.632458 0.632458 0.464419 S\n0.367542 0.367542 0.535581 S\n0.215366 0.215366 0.152713 Se\n0.784634 0.784634 0.847287 Se\n0.809222 0.809222 0.337650 Tb\n0.190778 0.190778 0.662350 Tb\n",
"nsites": 14,
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"elements": [
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"N",
"O",
"S",
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],
"chemical_system": "Er-Gd-N-O-S-Se-Tb",
"density": 7.346539029618969,
"density_atomic": 0.049593335396444754,
"volume": 282.2959957842164,
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557622",
"created_at": "2022-09-04T15:55:48.734141Z",
"updated_at": "2022-09-04T15:55:48.734160Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.570886 -1.959769 0.000000\n7.570886 1.959769 0.000000\n-0.588140 0.000000 9.446267\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.614018 0.614018 0.453683 Dy\n0.385982 0.385982 0.546317 Dy\n0.213387 0.213387 0.185949 Er\n0.786613 0.786613 0.814051 Er\n0.110275 0.110275 0.326810 N\n0.889725 0.889725 0.673190 N\n0.968892 0.968892 0.223424 Nd\n0.031108 0.031108 0.776576 Nd\n0.470321 0.470321 0.356377 O\n0.529679 0.529679 0.643623 O\n0.793267 0.793267 0.342593 S\n0.206733 0.206733 0.657407 S\n0.625953 0.625953 0.000712 Se\n0.374047 0.374047 0.999288 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.286770198848382,
"density_atomic": 0.04994433475404288,
"volume": 280.3120728095539,
"volume_molar": 12.057705422760732,
"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557345",
"created_at": "2022-09-04T15:55:48.841514Z",
"updated_at": "2022-09-04T15:55:48.841536Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.812775 -1.961392 0.000000\n7.812775 1.961392 0.000000\n-1.269140 0.000000 9.529062\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.097558 0.097558 0.308119 N\n0.902442 0.902442 0.691881 N\n0.951173 0.951173 0.226226 Nd\n0.048827 0.048827 0.773774 Nd\n0.462437 0.462437 0.360183 O\n0.537563 0.537563 0.639817 O\n0.364415 0.364415 0.019651 S\n0.635585 0.635585 0.980349 S\n0.786037 0.786037 0.352226 Se\n0.213963 0.213963 0.647774 Se\n0.197623 0.197623 0.171430 Tb\n0.802377 0.802377 0.828570 Tb\n0.607080 0.607080 0.442672 Y\n0.392920 0.392920 0.557328 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.062355687778785,
"density_atomic": 0.04793780787572877,
"volume": 292.04506047278585,
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"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"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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"Nd",
"O",
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],
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"density": 6.891589914010724,
"density_atomic": 0.04788455809586754,
"volume": 292.36982770042954,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.344229024509852,
"spacegroup": 12
},
{
"id": "oqmd-1557955",
"created_at": "2022-09-04T15:55:41.446730Z",
"updated_at": "2022-09-04T15:55:41.446748Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.723774 -1.922005 0.000000\n7.723774 1.922005 0.000000\n-1.491332 0.000000 9.451524\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948331 0.948331 0.235771 Dy\n0.051669 0.051669 0.764229 Dy\n0.606242 0.606242 0.440923 Ho\n0.393758 0.393758 0.559077 Ho\n0.092898 0.092898 0.304287 N\n0.907102 0.907102 0.695713 N\n0.460868 0.460868 0.361505 O\n0.539132 0.539132 0.638495 O\n0.367504 0.367504 0.031560 S\n0.632496 0.632496 0.968440 S\n0.785076 0.785076 0.351410 Se\n0.214924 0.214924 0.648590 Se\n0.192389 0.192389 0.166318 Tb\n0.807611 0.807611 0.833682 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"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",
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"elements": [
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"density": 6.766030498155324,
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"volume": 295.2184883125513,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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},
{
"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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"elements": [
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},
{
"id": "oqmd-1558060",
"created_at": "2022-09-04T15:55:41.820232Z",
"updated_at": "2022-09-04T15:55:41.820260Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.575757 -1.964747 0.000000\n7.575757 1.964747 0.000000\n-0.480306 0.000000 9.440068\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.784833 0.784833 0.313389 Dy\n0.215167 0.215167 0.686611 Dy\n0.386605 0.386605 0.045202 Ho\n0.613395 0.613395 0.954798 Ho\n0.888888 0.888888 0.169633 N\n0.111112 0.111112 0.830367 N\n0.028361 0.028361 0.277376 Nd\n0.971639 0.971639 0.722624 Nd\n0.528517 0.528517 0.144225 O\n0.471483 0.471483 0.855775 O\n0.205406 0.205406 0.155834 S\n0.794594 0.794594 0.844166 S\n0.377590 0.377590 0.495407 Se\n0.622410 0.622410 0.504593 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4526861914622304,
"spacegroup": 12
},
{
"id": "oqmd-1558065",
"created_at": "2022-09-04T15:55:41.997211Z",
"updated_at": "2022-09-04T15:55:41.997240Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.648648 -1.979706 0.000000\n7.648648 1.979706 0.000000\n-0.794298 0.000000 9.567799\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.789042 0.789042 0.315386 Gd\n0.210958 0.210958 0.684614 Gd\n0.892586 0.892586 0.174498 N\n0.107414 0.107414 0.825502 N\n0.035284 0.035284 0.272328 Nd\n0.964716 0.964716 0.727672 Nd\n0.531401 0.531401 0.142125 O\n0.468599 0.468599 0.857875 O\n0.207899 0.207899 0.153466 S\n0.792101 0.792101 0.846534 S\n0.624678 0.624678 0.495168 Se\n0.375322 0.375322 0.504832 Se\n0.386792 0.386792 0.047125 Tb\n0.613208 0.613208 0.952875 Tb\n",
"nsites": 14,
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"elements": [
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"S",
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],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.893663659015484,
"density_atomic": 0.04831707363236886,
"volume": 289.7526474082867,
"volume_molar": 12.463794487681081,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558492",
"created_at": "2022-09-04T15:55:42.252643Z",
"updated_at": "2022-09-04T15:55:42.252669Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.578399 -1.941411 0.000000\n7.578399 1.941411 0.000000\n-1.262543 0.000000 9.512387\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.797352 0.797352 0.316969 Dy\n0.202648 0.202648 0.683031 Dy\n0.045828 0.045828 0.261789 Gd\n0.954172 0.954172 0.738211 Gd\n0.388941 0.388941 0.051728 Ho\n0.611059 0.611059 0.948272 Ho\n0.900113 0.900113 0.182192 N\n0.099887 0.099887 0.817808 N\n0.536699 0.536699 0.138165 O\n0.463301 0.463301 0.861835 O\n0.212746 0.212746 0.149521 S\n0.787254 0.787254 0.850479 S\n0.629147 0.629147 0.479671 Se\n0.370853 0.370853 0.520329 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Dy-Gd-Ho-N-O-S-Se",
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"volume": 279.9074510284128,
"volume_molar": 12.040300499042207,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.48062349253366,
"spacegroup": 12
}
]
}