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{
"count": 1013513,
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"results": [
{
"id": "oqmd-1558139",
"created_at": "2022-09-04T15:55:41.792349Z",
"updated_at": "2022-09-04T15:55:41.792373Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672744 -1.958492 0.000000\n7.672744 1.958492 0.000000\n-1.457332 0.000000 9.673526\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799897 0.799897 0.323853 Ho\n0.200103 0.200103 0.676147 Ho\n0.900818 0.900818 0.193832 N\n0.099182 0.099182 0.806168 N\n0.385126 0.385126 0.051772 Nd\n0.614874 0.614874 0.948228 Nd\n0.537648 0.537648 0.144468 O\n0.462352 0.462352 0.855532 O\n0.213195 0.213195 0.161276 S\n0.786805 0.786805 0.838724 S\n0.630949 0.630949 0.476120 Se\n0.369051 0.369051 0.523880 Se\n0.046507 0.046507 0.263300 Tb\n0.953493 0.953493 0.736700 Tb\n",
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"elements": [
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557910",
"created_at": "2022-09-04T15:55:41.784508Z",
"updated_at": "2022-09-04T15:55:41.784529Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.566162 -1.931348 0.000000\n7.566162 1.931348 0.000000\n-1.511299 0.000000 9.552472\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.611369 0.611369 0.446797 Dy\n0.388631 0.388631 0.553203 Dy\n0.950381 0.950381 0.244008 Ho\n0.049619 0.049619 0.755992 Ho\n0.096638 0.096638 0.313365 N\n0.903362 0.903362 0.686635 N\n0.460876 0.460876 0.362400 O\n0.539124 0.539124 0.637600 O\n0.786080 0.786080 0.351162 S\n0.213920 0.213920 0.648838 S\n0.370858 0.370858 0.028882 Se\n0.629142 0.629142 0.971118 Se\n0.199144 0.199144 0.179282 Tb\n0.800856 0.800856 0.820718 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density_atomic": 0.05014713161196088,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3901218971288976,
"spacegroup": 12
},
{
"id": "oqmd-1558025",
"created_at": "2022-09-04T15:55:41.617469Z",
"updated_at": "2022-09-04T15:55:41.617493Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.782190 -1.954396 0.000000\n7.782190 1.954396 0.000000\n-1.151021 0.000000 9.478807\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.197929 0.197929 0.172127 Dy\n0.802071 0.802071 0.827873 Dy\n0.606718 0.606718 0.443321 Ho\n0.393282 0.393282 0.556679 Ho\n0.098938 0.098938 0.311476 N\n0.901062 0.901062 0.688524 N\n0.953398 0.953398 0.226177 Nd\n0.046602 0.046602 0.773823 Nd\n0.464213 0.464213 0.361383 O\n0.535787 0.535787 0.638617 O\n0.366137 0.366137 0.017565 S\n0.633863 0.633863 0.982435 S\n0.786391 0.786391 0.350004 Se\n0.213609 0.213609 0.649996 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.057182141917619,
"density_atomic": 0.04855455347318143,
"volume": 288.3354700755871,
"volume_molar": 12.402834192113954,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4261560450336583,
"spacegroup": 12
},
{
"id": "oqmd-1558140",
"created_at": "2022-09-04T15:55:41.643133Z",
"updated_at": "2022-09-04T15:55:41.643156Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.611831 -1.973866 0.000000\n7.611831 1.973866 0.000000\n-0.610478 0.000000 9.493865\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.786637 0.786637 0.313759 Gd\n0.213363 0.213363 0.686241 Gd\n0.387534 0.387534 0.046124 Ho\n0.612466 0.612466 0.953876 Ho\n0.891130 0.891130 0.170032 N\n0.108870 0.108870 0.829968 N\n0.031711 0.031711 0.274496 Nd\n0.968289 0.968289 0.725504 Nd\n0.529984 0.529984 0.142736 O\n0.470016 0.470016 0.857264 O\n0.206416 0.206416 0.152764 S\n0.793584 0.793584 0.847236 S\n0.377524 0.377524 0.499650 Se\n0.622476 0.622476 0.500350 Se\n",
"nsites": 14,
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"elements": [
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"Nd",
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"S",
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],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 7.071511033744669,
"density_atomic": 0.049073630027589826,
"volume": 285.28560027307987,
"volume_molar": 12.271643154611295,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558013",
"created_at": "2022-09-04T15:55:42.292028Z",
"updated_at": "2022-09-04T15:55:42.292056Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.842094 -1.936668 0.000000\n7.842094 1.936668 0.000000\n-1.630282 0.000000 9.588388\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.948340 0.948340 0.232715 Dy\n0.051660 0.051660 0.767285 Dy\n0.190284 0.190284 0.160855 Ho\n0.809716 0.809716 0.839145 Ho\n0.092088 0.092088 0.291586 N\n0.907912 0.907912 0.708414 N\n0.609941 0.609941 0.440651 Nd\n0.390059 0.390059 0.559349 Nd\n0.460255 0.460255 0.355150 O\n0.539745 0.539745 0.644850 O\n0.363866 0.363866 0.032659 S\n0.636134 0.636134 0.967341 S\n0.783894 0.783894 0.339708 Se\n0.216106 0.216106 0.660292 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"S",
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],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.986611298571866,
"density_atomic": 0.048069014667752805,
"volume": 291.24790879876156,
"volume_molar": 12.528113591727033,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4197860236050874,
"spacegroup": 12
},
{
"id": "oqmd-1558256",
"created_at": "2022-09-04T15:55:42.212225Z",
"updated_at": "2022-09-04T15:55:42.212235Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.806934 -1.951799 0.000000\n7.806934 1.951799 0.000000\n-1.650286 0.000000 9.665976\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.394856 0.394856 0.058317 Dy\n0.605144 0.605144 0.941683 Dy\n0.909914 0.909914 0.191884 N\n0.090086 0.090086 0.808116 N\n0.810658 0.810658 0.335064 Nd\n0.189342 0.189342 0.664936 Nd\n0.540404 0.540404 0.135350 O\n0.459596 0.459596 0.864650 O\n0.630433 0.630433 0.460398 S\n0.369567 0.369567 0.539602 S\n0.216186 0.216186 0.144529 Se\n0.783814 0.783814 0.855471 Se\n0.054260 0.054260 0.256951 Tb\n0.945740 0.945740 0.743049 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.840071971237495,
"density_atomic": 0.047526598038103655,
"volume": 294.5718940113436,
"volume_molar": 12.671095783400801,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.326971165938422,
"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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},
{
"id": "oqmd-1558171",
"created_at": "2022-09-04T15:55:42.598479Z",
"updated_at": "2022-09-04T15:55:42.598505Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790971 -1.941772 0.000000\n7.790971 1.941772 0.000000\n-1.692155 0.000000 9.645323\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.945172 0.945172 0.243835 Dy\n0.054828 0.054828 0.756165 Dy\n0.604370 0.604370 0.441685 Ho\n0.395630 0.395630 0.558315 Ho\n0.089155 0.089155 0.308257 N\n0.910845 0.910845 0.691743 N\n0.188633 0.188633 0.165410 Nd\n0.811367 0.811367 0.834590 Nd\n0.459291 0.459291 0.364960 O\n0.540709 0.540709 0.635040 O\n0.369089 0.369089 0.041276 S\n0.630911 0.630911 0.958724 S\n0.784107 0.784107 0.357171 Se\n0.215893 0.215893 0.642829 Se\n",
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557696",
"created_at": "2022-09-04T15:55:37.871019Z",
"updated_at": "2022-09-04T15:55:37.871044Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.556201 -1.935614 0.000000\n7.556201 1.935614 0.000000\n-1.481505 0.000000 9.559146\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.050045 0.050045 0.255306 Dy\n0.949955 0.949955 0.744694 Dy\n0.389616 0.389616 0.052523 Er\n0.610384 0.610384 0.947477 Er\n0.800950 0.800950 0.319114 Gd\n0.199050 0.199050 0.680886 Gd\n0.903473 0.903473 0.182703 N\n0.096527 0.096527 0.817297 N\n0.539441 0.539441 0.135706 O\n0.460559 0.460559 0.864294 O\n0.214365 0.214365 0.145813 S\n0.785635 0.785635 0.854187 S\n0.628117 0.628117 0.471979 Se\n0.371883 0.371883 0.528021 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Gd2 Dy2 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",
"nsites": 14,
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"elements": [
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"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558045",
"created_at": "2022-09-04T15:55:41.291048Z",
"updated_at": "2022-09-04T15:55:41.291070Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.821260 -1.956907 0.000000\n7.821260 1.956907 0.000000\n-1.602529 0.000000 9.666937\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.605145 0.605145 0.441978 Dy\n0.394855 0.394855 0.558022 Dy\n0.946399 0.946399 0.241380 Gd\n0.053601 0.053601 0.758620 Gd\n0.090961 0.090961 0.308856 N\n0.909039 0.909039 0.691144 N\n0.190553 0.190553 0.165966 Nd\n0.809447 0.809447 0.834034 Nd\n0.460144 0.460144 0.364480 O\n0.539856 0.539856 0.635520 O\n0.369397 0.369397 0.037441 S\n0.630603 0.630603 0.962559 S\n0.784326 0.784326 0.355882 Se\n0.215674 0.215674 0.644118 Se\n",
"nsites": 14,
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557714",
"created_at": "2022-09-04T15:55:41.050656Z",
"updated_at": "2022-09-04T15:55:41.050679Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716132 -1.927614 0.000000\n7.716132 1.927614 0.000000\n-1.398056 0.000000 9.431652\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393957 0.393957 0.059113 Er\n0.606043 0.606043 0.940887 Er\n0.050997 0.050997 0.266644 Gd\n0.949003 0.949003 0.733356 Gd\n0.905631 0.905631 0.194203 N\n0.094369 0.094369 0.805797 N\n0.538514 0.538514 0.137801 O\n0.461486 0.461486 0.862199 O\n0.634963 0.634963 0.471065 S\n0.365037 0.365037 0.528935 S\n0.214957 0.214957 0.146945 Se\n0.785043 0.785043 0.853055 Se\n0.805195 0.805195 0.331531 Y\n0.194805 0.194805 0.668469 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
}
]
}