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{
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"results": [
{
"id": "oqmd-1557935",
"created_at": "2022-09-04T15:55:38.746826Z",
"updated_at": "2022-09-04T15:55:38.746843Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.571783 -1.937471 0.000000\n7.571783 1.937471 0.000000\n-1.333162 0.000000 9.513505\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.201935 0.201935 0.180726 Ho\n0.798065 0.798065 0.819274 Ho\n0.099776 0.099776 0.314301 N\n0.900224 0.900224 0.685699 N\n0.462610 0.462610 0.359887 O\n0.537390 0.537390 0.640113 O\n0.787427 0.787427 0.347015 S\n0.212573 0.212573 0.652985 S\n0.370586 0.370586 0.021398 Se\n0.629414 0.629414 0.978602 Se\n0.953948 0.953948 0.238016 Tb\n0.612532 0.612532 0.448454 Tb\n0.387468 0.387468 0.551546 Tb\n0.046052 0.046052 0.761984 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 12.006786351301763,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
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{
"id": "oqmd-1557974",
"created_at": "2022-09-04T15:55:41.077363Z",
"updated_at": "2022-09-04T15:55:41.077393Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.721986 -1.923495 0.000000\n7.721986 1.923495 0.000000\n-1.564073 0.000000 9.475693\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.948098 0.948098 0.236564 Ho\n0.051902 0.051902 0.763436 Ho\n0.092159 0.092159 0.300875 N\n0.907841 0.907841 0.699125 N\n0.460356 0.460356 0.360060 O\n0.539644 0.539644 0.639940 O\n0.367532 0.367532 0.033761 S\n0.632468 0.632468 0.966239 S\n0.784730 0.784730 0.348860 Se\n0.215270 0.215270 0.651140 Se\n0.191575 0.191575 0.164129 Tb\n0.607352 0.607352 0.441127 Tb\n0.392648 0.392648 0.558873 Tb\n0.808425 0.808425 0.835871 Tb\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ho-N-O-S-Se-Tb",
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"density_atomic": 0.049735557068948805,
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"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557997",
"created_at": "2022-09-04T15:55:40.823612Z",
"updated_at": "2022-09-04T15:55:40.823638Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.728100 -1.924411 0.000000\n7.728100 1.924411 0.000000\n-1.462032 0.000000 9.432994\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.193864 0.193864 0.166164 Ho\n0.806136 0.806136 0.833836 Ho\n0.094697 0.094697 0.301261 N\n0.905303 0.905303 0.698739 N\n0.461833 0.461833 0.358891 O\n0.538167 0.538167 0.641109 O\n0.365441 0.365441 0.028297 S\n0.634559 0.634559 0.971703 S\n0.785438 0.785438 0.347577 Se\n0.214562 0.214562 0.652423 Se\n0.949981 0.949981 0.231905 Tb\n0.607806 0.607806 0.441598 Tb\n0.392194 0.392194 0.558402 Tb\n0.050019 0.050019 0.768095 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.04989740017783289,
"volume": 280.5757404214329,
"volume_molar": 12.069047161850646,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.272169088271756,
"spacegroup": 12
},
{
"id": "oqmd-1558685",
"created_at": "2022-09-04T15:55:44.260016Z",
"updated_at": "2022-09-04T15:55:44.260043Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.759598 -1.976441 0.000000\n7.759598 1.976441 0.000000\n-0.596928 0.000000 9.545120\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.207742 0.207742 0.179506 Ho\n0.792258 0.792258 0.820494 Ho\n0.108149 0.108149 0.322893 N\n0.891851 0.891851 0.677107 N\n0.969339 0.969339 0.223587 Nd\n0.030661 0.030661 0.776413 Nd\n0.470606 0.470606 0.355778 O\n0.529394 0.529394 0.644222 O\n0.375723 0.375723 0.002502 Se\n0.793069 0.793069 0.344874 Se\n0.206931 0.206931 0.655126 Se\n0.624277 0.624277 0.997498 Se\n0.610664 0.610664 0.450697 Y\n0.389336 0.389336 0.549303 Y\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ho-N-Nd-O-Se-Y",
"density": 6.647301975615954,
"density_atomic": 0.04781823813272463,
"volume": 292.77532060343805,
"volume_molar": 12.59381565520023,
"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "NdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3443954456507976,
"spacegroup": 12
},
{
"id": "oqmd-1558624",
"created_at": "2022-09-04T15:55:41.444241Z",
"updated_at": "2022-09-04T15:55:41.444263Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.805892 -1.963194 0.000000\n7.805892 1.963194 0.000000\n-1.555921 0.000000 9.806514\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.050825 0.050825 0.249520 Ho\n0.949175 0.949175 0.750480 Ho\n0.908739 0.908739 0.186741 N\n0.091261 0.091261 0.813259 N\n0.808970 0.808970 0.328742 Nd\n0.191030 0.191030 0.671258 Nd\n0.539795 0.539795 0.134985 O\n0.460205 0.460205 0.865015 O\n0.214910 0.214910 0.143554 Se\n0.626076 0.626076 0.459050 Se\n0.373924 0.373924 0.540950 Se\n0.785090 0.785090 0.856446 Se\n0.393880 0.393880 0.056009 Y\n0.606120 0.606120 0.943991 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.475144566300245,
"density_atomic": 0.04657980124131069,
"volume": 300.55946197519796,
"volume_molar": 12.928652762603642,
"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
"formula_reduced": "NdYHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.336929022079369,
"spacegroup": 12
},
{
"id": "oqmd-1558591",
"created_at": "2022-09-04T15:55:44.096794Z",
"updated_at": "2022-09-04T15:55:44.096821Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.842687 -1.966836 0.000000\n7.842687 1.966836 0.000000\n-1.364506 0.000000 9.707528\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.804757 0.804757 0.330470 Ho\n0.195243 0.195243 0.669530 Ho\n0.903148 0.903148 0.198380 N\n0.096852 0.096852 0.801620 N\n0.388931 0.388931 0.055270 Nd\n0.611069 0.611069 0.944730 Nd\n0.536765 0.536765 0.144893 O\n0.463235 0.463235 0.855107 O\n0.213063 0.213063 0.159951 Se\n0.630279 0.630279 0.471954 Se\n0.369721 0.369721 0.528046 Se\n0.786937 0.786937 0.840049 Se\n0.044937 0.044937 0.264024 Y\n0.955063 0.955063 0.735976 Y\n",
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"elements": [
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1558561",
"created_at": "2022-09-04T15:55:42.550197Z",
"updated_at": "2022-09-04T15:55:42.550228Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.823033 -1.961831 0.000000\n7.823033 1.961831 0.000000\n-1.432472 0.000000 9.747161\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.045689 0.045689 0.260270 Ho\n0.954311 0.954311 0.739730 Ho\n0.904415 0.904415 0.198890 N\n0.095585 0.095585 0.801110 N\n0.388487 0.388487 0.055508 Nd\n0.611513 0.611513 0.944492 Nd\n0.537258 0.537258 0.143958 O\n0.462742 0.462742 0.856042 O\n0.213392 0.213392 0.158508 Se\n0.629906 0.629906 0.467420 Se\n0.370094 0.370094 0.532580 Se\n0.786608 0.786608 0.841492 Se\n0.805817 0.805817 0.332489 Y\n0.194183 0.194183 0.667511 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558670",
"created_at": "2022-09-04T15:55:45.304509Z",
"updated_at": "2022-09-04T15:55:45.304537Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.763942 -1.975412 0.000000\n7.763942 1.975412 0.000000\n-0.685505 0.000000 9.573976\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.608864 0.608864 0.448698 Ho\n0.391136 0.391136 0.551302 Ho\n0.105500 0.105500 0.323187 N\n0.894500 0.894500 0.676813 N\n0.965353 0.965353 0.226911 Nd\n0.034647 0.034647 0.773089 Nd\n0.469296 0.469296 0.359130 O\n0.530704 0.530704 0.640870 O\n0.374315 0.374315 0.007783 Se\n0.791357 0.791357 0.348900 Se\n0.208643 0.208643 0.651100 Se\n0.625685 0.625685 0.992217 Se\n0.206279 0.206279 0.179920 Y\n0.793721 0.793721 0.820080 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558626",
"created_at": "2022-09-04T15:55:44.482206Z",
"updated_at": "2022-09-04T15:55:44.482225Z",
"structure_string": "Nd2 Y2 Ho2 Se4 N2 O2\n1.0\n7.787661 -1.969610 0.000000\n7.787661 1.969610 0.000000\n-1.475913 0.000000 9.780537\nHo N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.605331 0.605331 0.443897 Ho\n0.394669 0.394669 0.556103 Ho\n0.092370 0.092370 0.316226 N\n0.907630 0.907630 0.683774 N\n0.192210 0.192210 0.172672 Nd\n0.807790 0.807790 0.827328 Nd\n0.461006 0.461006 0.366703 O\n0.538994 0.538994 0.633297 O\n0.375322 0.375322 0.038023 Se\n0.784967 0.784967 0.357612 Se\n0.215033 0.215033 0.642388 Se\n0.624678 0.624678 0.961977 Se\n0.949684 0.949684 0.249594 Y\n0.050316 0.050316 0.750406 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558054",
"created_at": "2022-09-04T15:55:39.247790Z",
"updated_at": "2022-09-04T15:55:39.247816Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.854649 -1.968837 0.000000\n7.854649 1.968837 0.000000\n-1.355898 0.000000 9.728521\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.804770 0.804770 0.329691 Ho\n0.195230 0.195230 0.670309 Ho\n0.902761 0.902761 0.197324 N\n0.097239 0.097239 0.802676 N\n0.388777 0.388777 0.054864 Nd\n0.611223 0.611223 0.945136 Nd\n0.536396 0.536396 0.145079 O\n0.463604 0.463604 0.854921 O\n0.213038 0.213038 0.159836 Se\n0.630538 0.630538 0.473212 Se\n0.369462 0.369462 0.526788 Se\n0.786962 0.786962 0.840164 Se\n0.044529 0.044529 0.264349 Tb\n0.955471 0.955471 0.735651 Tb\n",
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"elements": [
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],
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"density": 7.240779252682229,
"density_atomic": 0.04652803102053187,
"volume": 300.89388467399544,
"volume_molar": 12.943038052357194,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.247136492031752,
"spacegroup": 12
},
{
"id": "oqmd-1558118",
"created_at": "2022-09-04T15:55:41.578466Z",
"updated_at": "2022-09-04T15:55:41.578493Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.816458 -1.966962 0.000000\n7.816458 1.966962 0.000000\n-1.616814 0.000000 9.848939\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.948719 0.948719 0.250614 Ho\n0.051281 0.051281 0.749386 Ho\n0.090718 0.090718 0.312631 N\n0.909282 0.909282 0.687369 N\n0.190275 0.190275 0.171309 Nd\n0.809725 0.809725 0.828691 Nd\n0.460400 0.460400 0.365257 O\n0.539600 0.539600 0.634743 O\n0.372889 0.372889 0.041428 Se\n0.784965 0.784965 0.356294 Se\n0.215035 0.215035 0.643706 Se\n0.627111 0.627111 0.958572 Se\n0.606064 0.606064 0.443897 Tb\n0.393936 0.393936 0.556103 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"density": 7.194046771649861,
"density_atomic": 0.046227735948515286,
"volume": 302.848489391565,
"volume_molar": 13.027115943352651,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.252484884174609,
"spacegroup": 12
},
{
"id": "oqmd-1558196",
"created_at": "2022-09-04T15:55:42.005381Z",
"updated_at": "2022-09-04T15:55:42.005411Z",
"structure_string": "Tb2 Nd2 Ho2 Se4 N2 O2\n1.0\n7.814497 -1.971188 0.000000\n7.814497 1.971188 0.000000\n-1.465498 0.000000 9.810132\nHo N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.394778 0.394778 0.055646 Ho\n0.605222 0.605222 0.944354 Ho\n0.907268 0.907268 0.183161 N\n0.092732 0.092732 0.816839 N\n0.807061 0.807061 0.326063 Nd\n0.192939 0.192939 0.673937 Nd\n0.538370 0.538370 0.133366 O\n0.461630 0.461630 0.866634 O\n0.214360 0.214360 0.141952 Se\n0.625954 0.625954 0.463335 Se\n0.374046 0.374046 0.536665 Se\n0.785640 0.785640 0.858048 Se\n0.049757 0.049757 0.251596 Tb\n0.950243 0.950243 0.748404 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 13.000402210472112,
"formula_full": "Tb2 Nd2 Ho2 Se4 N2 O2",
"formula_reduced": "TbNdHoSe2NO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
}
]
}