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{
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"results": [
{
"id": "oqmd-1557471",
"created_at": "2022-09-04T15:55:49.897095Z",
"updated_at": "2022-09-04T15:55:49.897123Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.526724 -1.929816 0.000000\n7.526724 1.929816 0.000000\n-1.271691 0.000000 9.448401\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.611129 0.611129 0.447801 Er\n0.388871 0.388871 0.552199 Er\n0.202732 0.202732 0.182932 Ho\n0.797268 0.797268 0.817068 Ho\n0.099904 0.099904 0.317404 N\n0.900096 0.900096 0.682596 N\n0.462383 0.462383 0.362303 O\n0.537617 0.537617 0.637697 O\n0.787255 0.787255 0.350492 S\n0.212745 0.212745 0.649508 S\n0.370876 0.370876 0.020667 Se\n0.629124 0.629124 0.979333 Se\n0.953643 0.953643 0.238421 Tb\n0.046357 0.046357 0.761579 Tb\n",
"nsites": 14,
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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{
"id": "oqmd-1557335",
"created_at": "2022-09-04T15:55:49.234890Z",
"updated_at": "2022-09-04T15:55:49.234911Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.749329 -1.934025 0.000000\n7.749329 1.934025 0.000000\n-1.432204 0.000000 9.473532\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.949821 0.949821 0.232319 Gd\n0.050179 0.050179 0.767681 Gd\n0.094769 0.094769 0.302670 N\n0.905231 0.905231 0.697330 N\n0.461932 0.461932 0.359779 O\n0.538068 0.538068 0.640221 O\n0.364866 0.364866 0.029025 S\n0.635134 0.635134 0.970975 S\n0.785543 0.785543 0.349665 Se\n0.214457 0.214457 0.650335 Se\n0.607667 0.607667 0.441585 Tb\n0.392333 0.392333 0.558415 Tb\n0.194824 0.194824 0.166614 Y\n0.805176 0.805176 0.833386 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density": 6.386941615523507,
"density_atomic": 0.049301477028650446,
"volume": 283.96715156960136,
"volume_molar": 12.214929699774244,
"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3571951260574693,
"spacegroup": 12
},
{
"id": "oqmd-1558090",
"created_at": "2022-09-04T15:55:39.324463Z",
"updated_at": "2022-09-04T15:55:39.324480Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808644 -1.960693 0.000000\n7.808644 1.960693 0.000000\n-1.182763 0.000000 9.515233\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607102 0.607102 0.443697 Dy\n0.392898 0.392898 0.556303 Dy\n0.098672 0.098672 0.310872 N\n0.901328 0.901328 0.689128 N\n0.953275 0.953275 0.226797 Nd\n0.046725 0.046725 0.773203 Nd\n0.464213 0.464213 0.360901 O\n0.535787 0.535787 0.639099 O\n0.366574 0.366574 0.018629 S\n0.633426 0.633426 0.981371 S\n0.786489 0.786489 0.349563 Se\n0.213511 0.213511 0.650437 Se\n0.197681 0.197681 0.171137 Tb\n0.802319 0.802319 0.828863 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.915400446071131,
"density_atomic": 0.04804999986184118,
"volume": 291.3631642092485,
"volume_molar": 12.533071336764918,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3276903537955653,
"spacegroup": 12
},
{
"id": "oqmd-1558444",
"created_at": "2022-09-04T15:55:40.813540Z",
"updated_at": "2022-09-04T15:55:40.813559Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.757571 -1.931757 0.000000\n7.757571 1.931757 0.000000\n-1.372248 0.000000 9.454596\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049310 0.049310 0.269478 Gd\n0.950690 0.950690 0.730522 Gd\n0.805195 0.805195 0.333200 Ho\n0.194805 0.194805 0.666800 Ho\n0.904488 0.904488 0.197744 N\n0.095512 0.095512 0.802256 N\n0.537826 0.537826 0.140975 O\n0.462174 0.462174 0.859025 O\n0.634319 0.634319 0.473908 S\n0.365681 0.365681 0.526092 S\n0.214336 0.214336 0.152624 Se\n0.785664 0.785664 0.847376 Se\n0.392380 0.392380 0.058749 Tb\n0.607620 0.607620 0.941251 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.291447244198839,
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557453",
"created_at": "2022-09-04T15:55:48.287659Z",
"updated_at": "2022-09-04T15:55:48.287687Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.786211 -1.937068 0.000000\n7.786211 1.937068 0.000000\n-1.752766 0.000000 9.657711\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.053845 0.053845 0.254851 Er\n0.946155 0.946155 0.745149 Er\n0.910804 0.910804 0.194715 N\n0.089196 0.089196 0.805285 N\n0.811768 0.811768 0.337287 Nd\n0.188232 0.188232 0.662713 Nd\n0.540823 0.540823 0.137057 O\n0.459177 0.459177 0.862943 O\n0.628822 0.628822 0.456716 S\n0.371178 0.371178 0.543284 S\n0.215615 0.215615 0.145432 Se\n0.784385 0.784385 0.854568 Se\n0.394222 0.394222 0.058403 Y\n0.605778 0.605778 0.941597 Y\n",
"nsites": 14,
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"elements": [
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"Nd",
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"Y"
],
"chemical_system": "Er-N-Nd-O-S-Se-Y",
"density": 6.172378496095293,
"density_atomic": 0.04805657323841062,
"volume": 291.3233103522681,
"volume_molar": 12.53135701150374,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4155169736050888,
"spacegroup": 12
},
{
"id": "oqmd-1557465",
"created_at": "2022-09-04T15:55:48.622802Z",
"updated_at": "2022-09-04T15:55:48.622826Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551564 -1.926466 0.000000\n7.551564 1.926466 0.000000\n-1.447194 0.000000 9.507629\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199707 0.199707 0.179159 Er\n0.800293 0.800293 0.820841 Er\n0.951479 0.951479 0.240737 Ho\n0.048521 0.048521 0.759263 Ho\n0.097623 0.097623 0.310625 N\n0.902377 0.902377 0.689375 N\n0.461329 0.461329 0.360474 O\n0.538671 0.538671 0.639526 O\n0.785894 0.785894 0.346712 S\n0.214106 0.214106 0.653288 S\n0.369498 0.369498 0.025863 Se\n0.630502 0.630502 0.974137 Se\n0.612294 0.612294 0.446757 Tb\n0.387706 0.387706 0.553243 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density": 7.5891974303984036,
"density_atomic": 0.05060897684715739,
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.39456940903366,
"spacegroup": 12
},
{
"id": "oqmd-1557287",
"created_at": "2022-09-04T15:55:49.147484Z",
"updated_at": "2022-09-04T15:55:49.147512Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.788598 -1.957386 0.000000\n7.788598 1.957386 0.000000\n-1.219860 0.000000 9.508165\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393048 0.393048 0.057363 Dy\n0.606952 0.606952 0.942637 Dy\n0.901954 0.901954 0.191325 N\n0.098046 0.098046 0.808675 N\n0.048166 0.048166 0.274455 Nd\n0.951834 0.951834 0.725545 Nd\n0.536814 0.536814 0.139205 O\n0.463186 0.463186 0.860795 O\n0.636064 0.636064 0.481080 S\n0.363936 0.363936 0.518920 S\n0.213469 0.213469 0.147723 Se\n0.786531 0.786531 0.852277 Se\n0.801283 0.801283 0.327896 Y\n0.198717 0.198717 0.672104 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557552",
"created_at": "2022-09-04T15:55:49.628032Z",
"updated_at": "2022-09-04T15:55:49.628070Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.531134 -1.929035 0.000000\n7.531134 1.929035 0.000000\n-1.304058 0.000000 9.456158\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.797911 0.797911 0.317629 Er\n0.202089 0.202089 0.682371 Er\n0.388574 0.388574 0.052713 Ho\n0.611426 0.611426 0.947287 Ho\n0.900446 0.900446 0.184426 N\n0.099554 0.099554 0.815574 N\n0.537705 0.537705 0.138661 O\n0.462295 0.462295 0.861339 O\n0.213280 0.213280 0.151202 S\n0.786720 0.786720 0.848798 S\n0.630240 0.630240 0.479312 Se\n0.369760 0.369760 0.520688 Se\n0.046660 0.046660 0.261961 Tb\n0.953340 0.953340 0.738039 Tb\n",
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"elements": [
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"density": 7.641016387963119,
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557564",
"created_at": "2022-09-04T15:55:50.147384Z",
"updated_at": "2022-09-04T15:55:50.147410Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.555843 -1.927818 0.000000\n7.555843 1.927818 0.000000\n-1.550848 0.000000 9.558022\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.388712 0.388712 0.053457 Dy\n0.611288 0.611288 0.946543 Dy\n0.050439 0.050439 0.254498 Er\n0.949561 0.949561 0.745502 Er\n0.904215 0.904215 0.187418 N\n0.095785 0.095785 0.812582 N\n0.539808 0.539808 0.137580 O\n0.460192 0.460192 0.862420 O\n0.214413 0.214413 0.149087 S\n0.785587 0.785587 0.850913 S\n0.628660 0.628660 0.469332 Se\n0.371340 0.371340 0.530668 Se\n0.801971 0.801971 0.321432 Tb\n0.198029 0.198029 0.678568 Tb\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557541",
"created_at": "2022-09-04T15:55:49.235352Z",
"updated_at": "2022-09-04T15:55:49.235372Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.535321 -1.932040 0.000000\n7.535321 1.932040 0.000000\n-1.282971 0.000000 9.459524\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202639 0.202639 0.182414 Dy\n0.797361 0.797361 0.817586 Dy\n0.610957 0.610957 0.448093 Er\n0.389043 0.389043 0.551907 Er\n0.099867 0.099867 0.318113 N\n0.900133 0.900133 0.681887 N\n0.462813 0.462813 0.361750 O\n0.537187 0.537187 0.638250 O\n0.787643 0.787643 0.351058 S\n0.212357 0.212357 0.648942 S\n0.371785 0.371785 0.021243 Se\n0.628215 0.628215 0.978757 Se\n0.953823 0.953823 0.239229 Tb\n0.046177 0.046177 0.760771 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557661",
"created_at": "2022-09-04T15:55:40.010070Z",
"updated_at": "2022-09-04T15:55:40.010103Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.688905 -1.908581 0.000000\n7.688905 1.908581 0.000000\n-1.489503 0.000000 9.369879\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607345 0.607345 0.440611 Dy\n0.392655 0.392655 0.559389 Dy\n0.192940 0.192940 0.165907 Er\n0.807060 0.807060 0.834093 Er\n0.948915 0.948915 0.233555 Ho\n0.051085 0.051085 0.766445 Ho\n0.093284 0.093284 0.299651 N\n0.906716 0.906716 0.700349 N\n0.461004 0.461004 0.358967 O\n0.538996 0.538996 0.641033 O\n0.364922 0.364922 0.030314 S\n0.635078 0.635078 0.969686 S\n0.785019 0.785019 0.348577 Se\n0.214981 0.214981 0.651423 Se\n",
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
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},
{
"id": "oqmd-1557754",
"created_at": "2022-09-04T15:55:40.068445Z",
"updated_at": "2022-09-04T15:55:40.068466Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.564812 -1.960369 0.000000\n7.564812 1.960369 0.000000\n-0.511487 0.000000 9.429800\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.214514 0.214514 0.187382 Dy\n0.785486 0.785486 0.812618 Dy\n0.612725 0.612725 0.454047 Er\n0.387275 0.387275 0.545953 Er\n0.110185 0.110185 0.330463 N\n0.889815 0.889815 0.669537 N\n0.970075 0.970075 0.223831 Nd\n0.029925 0.029925 0.776169 Nd\n0.470845 0.470845 0.357393 O\n0.529155 0.529155 0.642607 O\n0.794208 0.794208 0.345966 S\n0.205792 0.205792 0.654034 S\n0.623481 0.623481 0.002784 Se\n0.376519 0.376519 0.997216 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdDyErSeSNO",
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}
]
}