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{
"id": "oqmd-1557259",
"created_at": "2022-09-04T15:55:48.000789Z",
"updated_at": "2022-09-04T15:55:48.000808Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.555664 -1.928164 0.000000\n7.555664 1.928164 0.000000\n-1.486993 0.000000 9.534374\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.611484 0.611484 0.446470 Dy\n0.388516 0.388516 0.553530 Dy\n0.950450 0.950450 0.243729 Ho\n0.049550 0.049550 0.756271 Ho\n0.096711 0.096711 0.312911 N\n0.903289 0.903289 0.687089 N\n0.460812 0.460812 0.361982 O\n0.539188 0.539188 0.638018 O\n0.785828 0.785828 0.350466 S\n0.214172 0.214172 0.649534 S\n0.370247 0.370247 0.028640 Se\n0.629753 0.629753 0.971360 Se\n0.199196 0.199196 0.179159 Y\n0.800804 0.800804 0.820841 Y\n",
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{
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"structure_string": "Sm2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.824346 -1.965984 0.000000\n7.824346 1.965984 0.000000\n-1.414096 0.000000 9.745972\nDy Gd N O Se Sm\n2 2 2 2 4 2\ndirect\n0.953717 0.953717 0.241633 Dy\n0.046283 0.046283 0.758367 Dy\n0.194269 0.194269 0.169576 Gd\n0.805731 0.805731 0.830424 Gd\n0.095563 0.095563 0.306197 N\n0.904437 0.904437 0.693803 N\n0.462743 0.462743 0.359117 O\n0.537257 0.537257 0.640883 O\n0.371753 0.371753 0.032080 Se\n0.786492 0.786492 0.346478 Se\n0.213508 0.213508 0.653522 Se\n0.628247 0.628247 0.967920 Se\n0.610001 0.610001 0.444790 Sm\n0.389999 0.389999 0.555210 Sm\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557701",
"created_at": "2022-09-04T15:55:40.932388Z",
"updated_at": "2022-09-04T15:55:40.932414Z",
"structure_string": "Tb2 Dy2 Er2 S4 N2 O2\n1.0\n7.540523 -1.901921 0.000000\n7.540523 1.901921 0.000000\n-1.647040 0.000000 9.370494\nDy Er N O S Tb\n2 2 2 2 4 2\ndirect\n0.803446 0.803446 0.330493 Dy\n0.196554 0.196554 0.669507 Dy\n0.052943 0.052943 0.263152 Er\n0.947057 0.947057 0.736848 Er\n0.905702 0.905702 0.197742 N\n0.094298 0.094298 0.802258 N\n0.540593 0.540593 0.140727 O\n0.459407 0.459407 0.859273 O\n0.214828 0.214828 0.152773 S\n0.634190 0.634190 0.468292 S\n0.365810 0.365810 0.531708 S\n0.785172 0.785172 0.847227 S\n0.388549 0.388549 0.055677 Tb\n0.611451 0.611451 0.944323 Tb\n",
"nsites": 14,
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},
{
"id": "oqmd-1557983",
"created_at": "2022-09-04T15:55:40.985970Z",
"updated_at": "2022-09-04T15:55:40.986000Z",
"structure_string": "Tb2 Dy2 Tm2 S4 N2 O2\n1.0\n7.528376 -1.898487 0.000000\n7.528376 1.898487 0.000000\n-1.676928 0.000000 9.383715\nDy N O S Tb Tm\n2 2 2 4 2 2\ndirect\n0.388887 0.388887 0.055728 Dy\n0.611113 0.611113 0.944272 Dy\n0.906736 0.906736 0.195616 N\n0.093264 0.093264 0.804384 N\n0.541091 0.541091 0.138994 O\n0.458909 0.458909 0.861006 O\n0.215573 0.215573 0.152292 S\n0.632420 0.632420 0.464953 S\n0.367580 0.367580 0.535047 S\n0.784427 0.784427 0.847708 S\n0.805373 0.805373 0.331939 Tb\n0.194627 0.194627 0.668061 Tb\n0.053784 0.053784 0.259284 Tm\n0.946216 0.946216 0.740716 Tm\n",
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{
"id": "oqmd-1558019",
"created_at": "2022-09-04T15:55:40.923930Z",
"updated_at": "2022-09-04T15:55:40.923954Z",
"structure_string": "Nd2 Gd2 Er2 Se4 N2 O2\n1.0\n7.797786 -1.981750 0.000000\n7.797786 1.981750 0.000000\n-0.784394 0.000000 9.598355\nEr Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.795464 0.795464 0.321957 Er\n0.204536 0.204536 0.678043 Er\n0.389642 0.389642 0.051840 Gd\n0.610358 0.610358 0.948160 Gd\n0.894935 0.894935 0.182888 N\n0.105065 0.105065 0.817112 N\n0.035657 0.035657 0.274365 Nd\n0.964343 0.964343 0.725635 Nd\n0.531466 0.531466 0.143070 O\n0.468534 0.468534 0.856930 O\n0.209597 0.209597 0.155611 Se\n0.628367 0.628367 0.491240 Se\n0.371633 0.371633 0.508760 Se\n0.790403 0.790403 0.844389 Se\n",
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"volume": 296.6517969522859,
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"formula_full": "Nd2 Gd2 Er2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1499795",
"created_at": "2022-09-04T15:53:25.286460Z",
"updated_at": "2022-09-04T15:53:25.286492Z",
"structure_string": "Sm2 Dy2 C1 I1 Br2 Cl2\n1.0\n8.941372 -1.932752 0.000000\n8.941372 1.932752 0.000000\n-2.156619 0.000000 8.167865\nBr C Cl Dy I Sm\n2 1 2 2 1 2\ndirect\n0.832262 0.832262 0.166050 Br\n0.167738 0.167738 0.833950 Br\n0.500000 0.500000 0.000000 C\n0.158290 0.158290 0.326234 Cl\n0.841710 0.841710 0.673766 Cl\n0.000476 0.000476 0.192941 Dy\n0.999524 0.999524 0.807059 Dy\n0.500000 0.500000 0.500000 I\n0.642503 0.642503 0.081624 Sm\n0.357497 0.357497 0.918376 Sm\n",
"nsites": 10,
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"elements": [
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"formula_full": "Sm2 Dy2 C1 I1 Br2 Cl2",
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"formula_anonymous": "ABC2D2E2F2",
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{
"id": "oqmd-1557860",
"created_at": "2022-09-04T15:55:40.899180Z",
"updated_at": "2022-09-04T15:55:40.899205Z",
"structure_string": "Tb2 Sm2 Dy2 Se4 N2 O2\n1.0\n7.792472 -1.966351 0.000000\n7.792472 1.966351 0.000000\n-1.349093 0.000000 9.718385\nDy N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.606729 0.606729 0.444500 Dy\n0.393271 0.393271 0.555500 Dy\n0.094743 0.094743 0.314493 N\n0.905257 0.905257 0.685507 N\n0.462513 0.462513 0.363643 O\n0.537487 0.537487 0.636357 O\n0.373661 0.373661 0.032006 Se\n0.786414 0.786414 0.354456 Se\n0.213586 0.213586 0.645544 Se\n0.626339 0.626339 0.967994 Se\n0.194893 0.194893 0.173649 Sm\n0.805107 0.805107 0.826351 Sm\n0.952433 0.952433 0.244260 Tb\n0.047567 0.047567 0.755740 Tb\n",
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{
"id": "oqmd-1557853",
"created_at": "2022-09-04T15:55:40.989729Z",
"updated_at": "2022-09-04T15:55:40.989741Z",
"structure_string": "Tb2 Sm2 Ho2 Se4 N2 O2\n1.0\n7.798075 -1.957324 0.000000\n7.798075 1.957324 0.000000\n-1.428025 0.000000 9.710987\nHo N O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.953686 0.953686 0.241479 Ho\n0.046314 0.046314 0.758521 Ho\n0.095328 0.095328 0.304962 N\n0.904672 0.904672 0.695038 N\n0.462573 0.462573 0.358482 O\n0.537427 0.537427 0.641518 O\n0.371338 0.371338 0.032320 Se\n0.786393 0.786393 0.345555 Se\n0.213607 0.213607 0.654445 Se\n0.628662 0.628662 0.967680 Se\n0.610170 0.610170 0.444552 Sm\n0.389830 0.389830 0.555448 Sm\n0.194014 0.194014 0.169339 Tb\n0.805986 0.805986 0.830661 Tb\n",
"nsites": 14,
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{
"id": "oqmd-1499782",
"created_at": "2022-09-04T15:53:25.266531Z",
"updated_at": "2022-09-04T15:53:25.266557Z",
"structure_string": "Sm2 Dy2 C1 I2 Br1 Cl2\n1.0\n9.244403 -1.951360 0.000000\n9.244403 1.951360 0.000000\n-1.431839 0.000000 8.139085\nBr C Cl Dy I Sm\n1 1 2 2 2 2\ndirect\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.000000 C\n0.151515 0.151515 0.299332 Cl\n0.848485 0.848485 0.700668 Cl\n0.632217 0.632217 0.064406 Dy\n0.367783 0.367783 0.935594 Dy\n0.823526 0.823526 0.192239 I\n0.176474 0.176474 0.807761 I\n0.997764 0.997764 0.204431 Sm\n0.002236 0.002236 0.795569 Sm\n",
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{
"id": "oqmd-1499545",
"created_at": "2022-09-04T15:53:25.250745Z",
"updated_at": "2022-09-04T15:53:25.250771Z",
"structure_string": "Pr2 Nd2 C1 I2 Br2 Cl1\n1.0\n9.434404 -2.000729 0.000000\n9.434404 2.000729 0.000000\n-1.627620 0.000000 8.207286\nBr C Cl I Nd Pr\n2 1 1 2 2 2\ndirect\n0.830483 0.830483 0.176564 Br\n0.169517 0.169517 0.823436 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.166194 0.166194 0.357579 I\n0.833806 0.833806 0.642421 I\n0.636304 0.636304 0.064650 Nd\n0.363696 0.363696 0.935350 Nd\n0.997007 0.997007 0.211114 Pr\n0.002993 0.002993 0.788886 Pr\n",
"nsites": 10,
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},
{
"id": "oqmd-1557806",
"created_at": "2022-09-04T15:55:40.865279Z",
"updated_at": "2022-09-04T15:55:40.865306Z",
"structure_string": "Tb2 Ho2 Er2 S4 N2 O2\n1.0\n7.530145 -1.903154 0.000000\n7.530145 1.903154 0.000000\n-1.500656 0.000000 9.310378\nEr Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.198466 0.198466 0.173034 Er\n0.801534 0.801534 0.826966 Er\n0.610648 0.610648 0.443896 Ho\n0.389352 0.389352 0.556104 Ho\n0.096188 0.096188 0.305977 N\n0.903812 0.903812 0.694023 N\n0.459969 0.459969 0.360880 O\n0.540031 0.540031 0.639120 O\n0.363568 0.363568 0.025710 S\n0.784521 0.784521 0.348064 S\n0.215479 0.215479 0.651936 S\n0.636432 0.636432 0.974290 S\n0.947588 0.947588 0.233099 Tb\n0.052412 0.052412 0.766901 Tb\n",
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"formula_full": "Tb2 Ho2 Er2 S4 N2 O2",
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},
{
"id": "oqmd-1499632",
"created_at": "2022-09-04T15:53:25.243907Z",
"updated_at": "2022-09-04T15:53:25.243937Z",
"structure_string": "Pr2 Dy2 C1 I1 Br2 Cl2\n1.0\n8.796516 -1.947922 0.000000\n8.796516 1.947922 0.000000\n-2.153866 0.000000 8.248800\nBr C Cl Dy I Pr\n2 1 2 2 1 2\ndirect\n0.165496 0.165496 0.347414 Br\n0.834504 0.834504 0.652586 Br\n0.500000 0.500000 0.000000 C\n0.835628 0.835628 0.164989 Cl\n0.164372 0.164372 0.835011 Cl\n0.999083 0.999083 0.191449 Dy\n0.000917 0.000917 0.808551 Dy\n0.500000 0.500000 0.500000 I\n0.648702 0.648702 0.077505 Pr\n0.351298 0.351298 0.922495 Pr\n",
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],
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"formula_full": "Pr2 Dy2 C1 I1 Br2 Cl2",
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}
]
}