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{
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{
"id": "oqmd-1558531",
"created_at": "2022-09-04T15:55:44.452518Z",
"updated_at": "2022-09-04T15:55:44.452547Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.582181 -1.935833 0.000000\n7.582181 1.935833 0.000000\n-1.432260 0.000000 9.559215\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.799627 0.799627 0.321886 Dy\n0.200373 0.200373 0.678114 Dy\n0.387254 0.387254 0.052194 Gd\n0.612746 0.612746 0.947806 Gd\n0.046947 0.046947 0.258824 Ho\n0.953053 0.953053 0.741176 Ho\n0.901704 0.901704 0.188564 N\n0.098296 0.098296 0.811436 N\n0.537779 0.537779 0.140520 O\n0.462221 0.462221 0.859480 O\n0.212854 0.212854 0.153849 S\n0.787146 0.787146 0.846151 S\n0.628657 0.628657 0.473548 Se\n0.371343 0.371343 0.526452 Se\n",
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{
"id": "oqmd-1558489",
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"updated_at": "2022-09-04T15:55:44.189891Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.736647 -1.927193 0.000000\n7.736647 1.927193 0.000000\n-1.361764 0.000000 9.428168\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607405 0.607405 0.441697 Dy\n0.392595 0.392595 0.558303 Dy\n0.951025 0.951025 0.231072 Gd\n0.048975 0.048975 0.768928 Gd\n0.195041 0.195041 0.167597 Ho\n0.804959 0.804959 0.832403 Ho\n0.095737 0.095737 0.303826 N\n0.904263 0.904263 0.696174 N\n0.462295 0.462295 0.359747 O\n0.537705 0.537705 0.640253 O\n0.366122 0.366122 0.025450 S\n0.633878 0.633878 0.974550 S\n0.785778 0.785778 0.348492 Se\n0.214222 0.214222 0.651508 Se\n",
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557534",
"created_at": "2022-09-04T15:55:46.684998Z",
"updated_at": "2022-09-04T15:55:46.685021Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.564899 -1.930415 0.000000\n7.564899 1.930415 0.000000\n-1.454703 0.000000 9.516710\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950836 0.950836 0.239991 Dy\n0.049164 0.049164 0.760009 Dy\n0.199697 0.199697 0.179909 Er\n0.800303 0.800303 0.820091 Er\n0.097511 0.097511 0.310824 N\n0.902489 0.902489 0.689176 N\n0.460965 0.460965 0.360875 O\n0.539035 0.539035 0.639125 O\n0.785446 0.785446 0.347550 S\n0.214554 0.214554 0.652450 S\n0.368388 0.368388 0.025131 Se\n0.631612 0.631612 0.974869 Se\n0.612061 0.612061 0.446532 Tb\n0.387939 0.387939 0.553468 Tb\n",
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"elements": [
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"density_atomic": 0.05036831089755543,
"volume": 277.9525410029081,
"volume_molar": 11.956209475137031,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557366",
"created_at": "2022-09-04T15:55:46.119035Z",
"updated_at": "2022-09-04T15:55:46.119055Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.842294 -1.948053 0.000000\n7.842294 1.948053 0.000000\n-1.609407 0.000000 9.616746\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.092883 0.092883 0.293080 N\n0.907117 0.907117 0.706920 N\n0.609988 0.609988 0.441430 Nd\n0.390012 0.390012 0.558570 Nd\n0.460516 0.460516 0.355391 O\n0.539484 0.539484 0.644609 O\n0.366058 0.366058 0.033215 S\n0.633942 0.633942 0.966785 S\n0.784903 0.784903 0.340985 Se\n0.215097 0.215097 0.659015 Se\n0.191548 0.191548 0.160221 Tb\n0.808452 0.808452 0.839779 Tb\n0.948937 0.948937 0.232436 Y\n0.051063 0.051063 0.767564 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
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{
"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",
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"density": 7.4240128550368025,
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
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},
{
"id": "oqmd-1558473",
"created_at": "2022-09-04T15:55:42.195946Z",
"updated_at": "2022-09-04T15:55:42.195984Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.753740 -1.928535 0.000000\n7.753740 1.928535 0.000000\n-1.599964 0.000000 9.533040\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.190341 0.190341 0.163726 Gd\n0.809659 0.809659 0.836274 Gd\n0.947218 0.947218 0.238573 Ho\n0.052782 0.052782 0.761427 Ho\n0.091233 0.091233 0.301369 N\n0.908767 0.908767 0.698631 N\n0.460037 0.460037 0.360760 O\n0.539963 0.539963 0.639240 O\n0.367410 0.367410 0.035990 S\n0.632590 0.632590 0.964010 S\n0.784049 0.784049 0.349954 Se\n0.215951 0.215951 0.650046 Se\n0.606904 0.606904 0.440769 Tb\n0.393096 0.393096 0.559231 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558190",
"created_at": "2022-09-04T15:55:41.979847Z",
"updated_at": "2022-09-04T15:55:41.979870Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.628521 -1.973203 0.000000\n7.628521 1.973203 0.000000\n-0.719998 0.000000 9.537404\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.212260 0.212260 0.184208 Dy\n0.787740 0.787740 0.815792 Dy\n0.614624 0.614624 0.453762 Gd\n0.385376 0.385376 0.546238 Gd\n0.109860 0.109860 0.324574 N\n0.890140 0.890140 0.675426 N\n0.967753 0.967753 0.225128 Nd\n0.032247 0.032247 0.774872 Nd\n0.470060 0.470060 0.355722 O\n0.529940 0.529940 0.644278 O\n0.793203 0.793203 0.341996 S\n0.206797 0.206797 0.658004 S\n0.374883 0.374883 0.001837 Se\n0.625117 0.625117 0.998163 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557494",
"created_at": "2022-09-04T15:55:46.620241Z",
"updated_at": "2022-09-04T15:55:46.620252Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.694089 -1.917523 0.000000\n7.694089 1.917523 0.000000\n-1.433602 0.000000 9.392206\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606217 0.606217 0.440678 Er\n0.393783 0.393783 0.559322 Er\n0.194002 0.194002 0.168039 Ho\n0.805998 0.805998 0.831961 Ho\n0.094170 0.094170 0.304145 N\n0.905830 0.905830 0.695855 N\n0.461170 0.461170 0.361457 O\n0.538830 0.538830 0.638543 O\n0.365086 0.365086 0.028574 S\n0.634914 0.634914 0.971426 S\n0.784931 0.784931 0.351664 Se\n0.215069 0.215069 0.648336 Se\n0.948824 0.948824 0.233143 Tb\n0.051176 0.051176 0.766857 Tb\n",
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},
{
"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",
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},
{
"id": "oqmd-1558217",
"created_at": "2022-09-04T15:55:42.063067Z",
"updated_at": "2022-09-04T15:55:42.063092Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.688671 -1.963432 0.000000\n7.688671 1.963432 0.000000\n-1.419148 0.000000 9.673069\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.953828 0.953828 0.235626 Gd\n0.046172 0.046172 0.764374 Gd\n0.200710 0.200710 0.176711 Ho\n0.799290 0.799290 0.823289 Ho\n0.099775 0.099775 0.306879 N\n0.900225 0.900225 0.693121 N\n0.614841 0.614841 0.448379 Nd\n0.385159 0.385159 0.551621 Nd\n0.462720 0.462720 0.355788 O\n0.537280 0.537280 0.644212 O\n0.786808 0.786808 0.338958 S\n0.213192 0.213192 0.661042 S\n0.368611 0.368611 0.022643 Se\n0.631389 0.631389 0.977357 Se\n",
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557160",
"created_at": "2022-09-04T15:55:45.984481Z",
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"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.572654 -1.943954 0.000000\n7.572654 1.943954 0.000000\n-1.236848 0.000000 9.512956\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.387847 0.387847 0.051350 Dy\n0.612153 0.612153 0.948650 Dy\n0.044607 0.044607 0.262520 Gd\n0.955393 0.955393 0.737480 Gd\n0.899048 0.899048 0.182634 N\n0.100952 0.100952 0.817366 N\n0.536386 0.536386 0.139429 O\n0.463614 0.463614 0.860571 O\n0.211546 0.211546 0.150877 S\n0.788454 0.788454 0.849123 S\n0.628637 0.628637 0.480027 Se\n0.371363 0.371363 0.519973 Se\n0.795935 0.795935 0.318361 Y\n0.204065 0.204065 0.681639 Y\n",
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"formula_full": "Gd2 Dy2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558446",
"created_at": "2022-09-04T15:55:43.861812Z",
"updated_at": "2022-09-04T15:55:43.861830Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.580392 -1.941066 0.000000\n7.580392 1.941066 0.000000\n-1.263823 0.000000 9.506152\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.388308 0.388308 0.051783 Dy\n0.611692 0.611692 0.948217 Dy\n0.045429 0.045429 0.263047 Gd\n0.954571 0.954571 0.736953 Gd\n0.797143 0.797143 0.317494 Ho\n0.202857 0.202857 0.682506 Ho\n0.899685 0.899685 0.183961 N\n0.100315 0.100315 0.816039 N\n0.536561 0.536561 0.139307 O\n0.463439 0.463439 0.860693 O\n0.212764 0.212764 0.151422 S\n0.787236 0.787236 0.848578 S\n0.630009 0.630009 0.480321 Se\n0.369991 0.369991 0.519679 Se\n",
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
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}
]
}