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{
"id": "oqmd-1557336",
"created_at": "2022-09-04T15:55:47.568446Z",
"updated_at": "2022-09-04T15:55:47.568471Z",
"structure_string": "Y2 Ho4 Se2 S2 N2 O2\n1.0\n7.708830 -1.913783 0.000000\n7.708830 1.913783 0.000000\n-1.536271 0.000000 9.426955\nHo N O S Se Y\n4 2 2 2 2 2\ndirect\n0.191493 0.191493 0.164795 Ho\n0.947925 0.947925 0.235381 Ho\n0.052075 0.052075 0.764619 Ho\n0.808507 0.808507 0.835205 Ho\n0.092384 0.092384 0.299587 N\n0.907616 0.907616 0.700413 N\n0.459496 0.459496 0.359511 O\n0.540504 0.540504 0.640489 O\n0.366174 0.366174 0.031537 S\n0.633826 0.633826 0.968463 S\n0.784249 0.784249 0.348161 Se\n0.215751 0.215751 0.651839 Se\n0.607367 0.607367 0.439983 Y\n0.392633 0.392633 0.560017 Y\n",
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{
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"updated_at": "2022-09-04T15:55:48.218337Z",
"structure_string": "Y4 Ho2 Se2 S2 N2 O2\n1.0\n7.553597 -1.934894 0.000000\n7.553597 1.934894 0.000000\n-1.402243 0.000000 9.514036\nHo N O S Se Y\n2 2 2 2 2 4\ndirect\n0.610629 0.610629 0.446968 Ho\n0.389371 0.389371 0.553032 Ho\n0.097543 0.097543 0.315401 N\n0.902457 0.902457 0.684599 N\n0.461549 0.461549 0.362808 O\n0.538451 0.538451 0.637192 O\n0.786096 0.786096 0.350612 S\n0.213904 0.213904 0.649388 S\n0.370640 0.370640 0.025686 Se\n0.629360 0.629360 0.974314 Se\n0.200326 0.200326 0.181125 Y\n0.951102 0.951102 0.241525 Y\n0.048898 0.048898 0.758475 Y\n0.799674 0.799674 0.818875 Y\n",
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"formula_full": "Y4 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557146",
"created_at": "2022-09-04T15:55:47.647028Z",
"updated_at": "2022-09-04T15:55:47.647036Z",
"structure_string": "Y2 Ho4 Se2 S2 N2 O2\n1.0\n7.694167 -1.914026 0.000000\n7.694167 1.914026 0.000000\n-1.506652 0.000000 9.424000\nHo N O S Se Y\n4 2 2 2 2 2\ndirect\n0.947924 0.947924 0.236583 Ho\n0.606255 0.606255 0.440255 Ho\n0.393745 0.393745 0.559745 Ho\n0.052076 0.052076 0.763417 Ho\n0.092232 0.092232 0.302683 N\n0.907768 0.907768 0.697317 N\n0.460258 0.460258 0.361065 O\n0.539742 0.539742 0.638935 O\n0.366662 0.366662 0.032979 S\n0.633338 0.633338 0.967021 S\n0.784724 0.784724 0.350867 Se\n0.215276 0.215276 0.649133 Se\n0.192189 0.192189 0.165841 Y\n0.807811 0.807811 0.834159 Y\n",
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"formula_full": "Y2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "YHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.4663942938431824,
"spacegroup": 12
},
{
"id": "oqmd-1557930",
"created_at": "2022-09-04T15:55:41.305204Z",
"updated_at": "2022-09-04T15:55:41.305235Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.551794 -1.928549 0.000000\n7.551794 1.928549 0.000000\n-1.497754 0.000000 9.536087\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.389007 0.389007 0.053216 Ho\n0.049631 0.049631 0.255546 Ho\n0.950369 0.950369 0.744454 Ho\n0.610993 0.610993 0.946784 Ho\n0.903465 0.903465 0.185490 N\n0.096535 0.096535 0.814510 N\n0.539175 0.539175 0.136811 O\n0.460825 0.460825 0.863189 O\n0.213947 0.213947 0.147728 S\n0.786053 0.786053 0.852272 S\n0.629076 0.629076 0.471260 Se\n0.370924 0.370924 0.528740 Se\n0.800724 0.800724 0.320157 Tb\n0.199276 0.199276 0.679843 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.5303042138474545,
"density_atomic": 0.05040191330781037,
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"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
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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,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
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"density_atomic": 0.04989740017783289,
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"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557926",
"created_at": "2022-09-04T15:55:41.252278Z",
"updated_at": "2022-09-04T15:55:41.252290Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.701759 -1.918616 0.000000\n7.701759 1.918616 0.000000\n-1.555590 0.000000 9.449287\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.947147 0.947147 0.237740 Ho\n0.605824 0.605824 0.440415 Ho\n0.394176 0.394176 0.559585 Ho\n0.052853 0.052853 0.762260 Ho\n0.091598 0.091598 0.303258 N\n0.908402 0.908402 0.696742 N\n0.459879 0.459879 0.361821 O\n0.540121 0.540121 0.638179 O\n0.367677 0.367677 0.033568 S\n0.632323 0.632323 0.966432 S\n0.784067 0.784067 0.351389 Se\n0.215933 0.215933 0.648611 Se\n0.190990 0.190990 0.165707 Tb\n0.809010 0.809010 0.834293 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.4900809591133655,
"density_atomic": 0.050132690585793706,
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"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.3721718902241355,
"spacegroup": 12
},
{
"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",
"density": 7.359898965288063,
"density_atomic": 0.049735557068948805,
"volume": 281.4887542245015,
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"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557909",
"created_at": "2022-09-04T15:55:40.688738Z",
"updated_at": "2022-09-04T15:55:40.688769Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.716610 -1.924634 0.000000\n7.716610 1.924634 0.000000\n-1.463880 0.000000 9.454479\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.393767 0.393767 0.058903 Ho\n0.606233 0.606233 0.941097 Ho\n0.906453 0.906453 0.195106 N\n0.093547 0.093547 0.804894 N\n0.539153 0.539153 0.138766 O\n0.460847 0.460847 0.861234 O\n0.632890 0.632890 0.470289 S\n0.367110 0.367110 0.529711 S\n0.214822 0.214822 0.148177 Se\n0.785178 0.785178 0.851823 Se\n0.051427 0.051427 0.265429 Tb\n0.806824 0.806824 0.332695 Tb\n0.193176 0.193176 0.667305 Tb\n0.948573 0.948573 0.734571 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
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"volume_molar": 12.079950897485228,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557890",
"created_at": "2022-09-04T15:55:40.398319Z",
"updated_at": "2022-09-04T15:55:40.398352Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.560169 -1.928512 0.000000\n7.560169 1.928512 0.000000\n-1.487036 0.000000 9.527395\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.199173 0.199173 0.179091 Ho\n0.950834 0.950834 0.242003 Ho\n0.049166 0.049166 0.757997 Ho\n0.800827 0.800827 0.820909 Ho\n0.097140 0.097140 0.310797 N\n0.902860 0.902860 0.689203 N\n0.460956 0.460956 0.361020 O\n0.539044 0.539044 0.638980 O\n0.785806 0.785806 0.348099 S\n0.214194 0.214194 0.651901 S\n0.369411 0.369411 0.027346 Se\n0.630589 0.630589 0.972654 Se\n0.612104 0.612104 0.446703 Tb\n0.387896 0.387896 0.553297 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 277.816487573057,
"volume_molar": 11.950357097240998,
"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
"formula_anonymous": "ABCDEF2",
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"spacegroup": 12
},
{
"id": "oqmd-1557883",
"created_at": "2022-09-04T15:55:40.369755Z",
"updated_at": "2022-09-04T15:55:40.369781Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.711147 -1.916729 0.000000\n7.711147 1.916729 0.000000\n-1.543264 0.000000 9.438844\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.191737 0.191737 0.164507 Ho\n0.948186 0.948186 0.234974 Ho\n0.051814 0.051814 0.765026 Ho\n0.808263 0.808263 0.835493 Ho\n0.092579 0.092579 0.299297 N\n0.907421 0.907421 0.700703 N\n0.460070 0.460070 0.359485 O\n0.539930 0.539930 0.640515 O\n0.366157 0.366157 0.031660 S\n0.633843 0.633843 0.968340 S\n0.784434 0.784434 0.347392 Se\n0.215566 0.215566 0.652608 Se\n0.607485 0.607485 0.440475 Tb\n0.392515 0.392515 0.559525 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"O",
"S",
"Se",
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],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.496612004429983,
"density_atomic": 0.05017640424868294,
"volume": 279.0156092216887,
"volume_molar": 12.001937664072594,
"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.371726961652707,
"spacegroup": 12
},
{
"id": "oqmd-1557970",
"created_at": "2022-09-04T15:55:42.066479Z",
"updated_at": "2022-09-04T15:55:42.066509Z",
"structure_string": "Tb2 Ho4 Se2 S2 N2 O2\n1.0\n7.563657 -1.933488 0.000000\n7.563657 1.933488 0.000000\n-1.352090 0.000000 9.493033\nHo N O S Se Tb\n4 2 2 2 2 2\ndirect\n0.201133 0.201133 0.182641 Ho\n0.610867 0.610867 0.447453 Ho\n0.389133 0.389133 0.552547 Ho\n0.798867 0.798867 0.817359 Ho\n0.098680 0.098680 0.315971 N\n0.901320 0.901320 0.684029 N\n0.462393 0.462393 0.362174 O\n0.537607 0.537607 0.637826 O\n0.786239 0.786239 0.349787 S\n0.213761 0.213761 0.650213 S\n0.370241 0.370241 0.021976 Se\n0.629759 0.629759 0.978024 Se\n0.951978 0.951978 0.238994 Tb\n0.048022 0.048022 0.761006 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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"N",
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"Tb"
],
"chemical_system": "Ho-N-O-S-Se-Tb",
"density": 7.533299619036996,
"density_atomic": 0.05042196218610235,
"volume": 277.6567867059084,
"volume_molar": 11.943487517944837,
"formula_full": "Tb2 Ho4 Se2 S2 N2 O2",
"formula_reduced": "TbHo2SeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.393693312366993,
"spacegroup": 12
},
{
"id": "oqmd-1557934",
"created_at": "2022-09-04T15:55:41.863227Z",
"updated_at": "2022-09-04T15:55:41.863251Z",
"structure_string": "Tb4 Ho2 Se2 S2 N2 O2\n1.0\n7.571763 -1.938901 0.000000\n7.571763 1.938901 0.000000\n-1.380412 0.000000 9.534889\nHo N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.389253 0.389253 0.052423 Ho\n0.610747 0.610747 0.947577 Ho\n0.902070 0.902070 0.183099 N\n0.097930 0.097930 0.816901 N\n0.538123 0.538123 0.137155 O\n0.461877 0.461877 0.862845 O\n0.213394 0.213394 0.148672 S\n0.786606 0.786606 0.851328 S\n0.628590 0.628590 0.475794 Se\n0.371410 0.371410 0.524206 Se\n0.048209 0.048209 0.258916 Tb\n0.799249 0.799249 0.318517 Tb\n0.200751 0.200751 0.681483 Tb\n0.951791 0.951791 0.741084 Tb\n",
"nsites": 14,
"nelements": 6,
"elements": [
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],
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"density": 7.4000493799211196,
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"volume": 279.96148195692416,
"volume_molar": 12.04262465516284,
"formula_full": "Tb4 Ho2 Se2 S2 N2 O2",
"formula_reduced": "Tb2HoSeSNO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.292871623986041,
"spacegroup": 12
}
]
}