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{
"id": "oqmd-1557242",
"created_at": "2022-09-04T15:55:47.959485Z",
"updated_at": "2022-09-04T15:55:47.959509Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.828197 -1.940878 0.000000\n7.828197 1.940878 0.000000\n-1.580570 0.000000 9.567176\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.807934 0.807934 0.339087 Ho\n0.192066 0.192066 0.660913 Ho\n0.906520 0.906520 0.208297 N\n0.093480 0.093480 0.791703 N\n0.389850 0.389850 0.058860 Nd\n0.610150 0.610150 0.941140 Nd\n0.539273 0.539273 0.145662 O\n0.460727 0.460727 0.854338 O\n0.635345 0.635345 0.469033 S\n0.364655 0.364655 0.530967 S\n0.215068 0.215068 0.160618 Se\n0.784932 0.784932 0.839382 Se\n0.050623 0.050623 0.269690 Y\n0.949377 0.949377 0.730310 Y\n",
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{
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"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.622325 -1.957034 0.000000\n7.622325 1.957034 0.000000\n-1.621995 0.000000 9.730331\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050821 0.050821 0.249773 Ho\n0.949179 0.949179 0.750227 Ho\n0.905357 0.905357 0.182458 N\n0.094643 0.094643 0.817542 N\n0.803104 0.803104 0.323428 Nd\n0.196896 0.196896 0.676572 Nd\n0.540143 0.540143 0.136009 O\n0.459857 0.459857 0.863991 O\n0.213902 0.213902 0.144783 S\n0.786098 0.786098 0.855217 S\n0.624543 0.624543 0.463855 Se\n0.375457 0.375457 0.536145 Se\n0.388967 0.388967 0.051628 Y\n0.611033 0.611033 0.948372 Y\n",
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{
"id": "oqmd-1557103",
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"updated_at": "2022-09-04T15:55:46.731084Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.819115 -1.938038 0.000000\n7.819115 1.938038 0.000000\n-1.632303 0.000000 9.598570\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.948586 0.948586 0.233746 Ho\n0.051414 0.051414 0.766254 Ho\n0.091877 0.091877 0.291808 N\n0.908123 0.908123 0.708192 N\n0.610340 0.610340 0.440954 Nd\n0.389660 0.389660 0.559046 Nd\n0.460076 0.460076 0.354811 O\n0.539924 0.539924 0.645189 O\n0.365467 0.365467 0.034915 S\n0.634533 0.634533 0.965085 S\n0.784603 0.784603 0.340332 Se\n0.215397 0.215397 0.659668 Se\n0.190858 0.190858 0.159259 Y\n0.809142 0.809142 0.840741 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557179",
"created_at": "2022-09-04T15:55:47.745101Z",
"updated_at": "2022-09-04T15:55:47.745132Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.664610 -1.953541 0.000000\n7.664610 1.953541 0.000000\n-1.577176 0.000000 9.681172\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.950837 0.950837 0.240588 Ho\n0.049163 0.049163 0.759412 Ho\n0.096291 0.096291 0.303571 N\n0.903709 0.903709 0.696429 N\n0.614591 0.614591 0.447143 Nd\n0.385409 0.385409 0.552857 Nd\n0.460736 0.460736 0.356501 O\n0.539264 0.539264 0.643499 O\n0.785985 0.785985 0.341197 S\n0.214015 0.214015 0.658803 S\n0.369092 0.369092 0.030268 Se\n0.630908 0.630908 0.969732 Se\n0.198202 0.198202 0.173559 Y\n0.801798 0.801798 0.826441 Y\n",
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},
{
"id": "oqmd-1557312",
"created_at": "2022-09-04T15:55:49.212797Z",
"updated_at": "2022-09-04T15:55:49.212823Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.573923 -1.961392 0.000000\n7.573923 1.961392 0.000000\n-0.683393 0.000000 9.456156\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.386632 0.386632 0.045843 Ho\n0.613368 0.613368 0.954157 Ho\n0.890188 0.890188 0.171782 N\n0.109812 0.109812 0.828218 N\n0.031555 0.031555 0.275390 Nd\n0.968445 0.968445 0.724610 Nd\n0.529648 0.529648 0.142485 O\n0.470352 0.470352 0.857515 O\n0.205752 0.205752 0.153514 S\n0.794248 0.794248 0.846486 S\n0.624528 0.624528 0.499858 Se\n0.375472 0.375472 0.500142 Se\n0.786079 0.786079 0.313653 Y\n0.213921 0.213921 0.686347 Y\n",
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"spacegroup": 12
},
{
"id": "oqmd-1557144",
"created_at": "2022-09-04T15:55:48.648936Z",
"updated_at": "2022-09-04T15:55:48.648951Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.669733 -1.957580 0.000000\n7.669733 1.957580 0.000000\n-1.524767 0.000000 9.655602\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.199250 0.199250 0.174983 Ho\n0.800750 0.800750 0.825017 Ho\n0.098252 0.098252 0.304170 N\n0.901748 0.901748 0.695830 N\n0.614779 0.614779 0.447722 Nd\n0.385221 0.385221 0.552278 Nd\n0.461687 0.461687 0.356234 O\n0.538313 0.538313 0.643766 O\n0.785939 0.785939 0.339649 S\n0.214061 0.214061 0.660351 S\n0.368921 0.368921 0.026664 Se\n0.631079 0.631079 0.973336 Se\n0.952062 0.952062 0.237635 Y\n0.047938 0.047938 0.762365 Y\n",
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},
{
"id": "oqmd-1558193",
"created_at": "2022-09-04T15:55:39.634287Z",
"updated_at": "2022-09-04T15:55:39.634315Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.634535 -1.956543 0.000000\n7.634535 1.956543 0.000000\n-1.650273 0.000000 9.765676\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948905 0.948905 0.251384 Ho\n0.051095 0.051095 0.748616 Ho\n0.094266 0.094266 0.317150 N\n0.905734 0.905734 0.682850 N\n0.195816 0.195816 0.176078 Nd\n0.804184 0.804184 0.823922 Nd\n0.460264 0.460264 0.364964 O\n0.539736 0.539736 0.635036 O\n0.785802 0.785802 0.353266 S\n0.214198 0.214198 0.646734 S\n0.374983 0.374983 0.037988 Se\n0.625017 0.625017 0.962012 Se\n0.610889 0.610889 0.448251 Tb\n0.389111 0.389111 0.551749 Tb\n",
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"elements": [
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},
{
"id": "oqmd-1558221",
"created_at": "2022-09-04T15:55:42.466619Z",
"updated_at": "2022-09-04T15:55:42.466632Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.850044 -1.942095 0.000000\n7.850044 1.942095 0.000000\n-1.576348 0.000000 9.588891\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808521 0.808521 0.338487 Ho\n0.191479 0.191479 0.661513 Ho\n0.906414 0.906414 0.206963 N\n0.093586 0.093586 0.793037 N\n0.389635 0.389635 0.058611 Nd\n0.610365 0.610365 0.941389 Nd\n0.538913 0.538913 0.145394 O\n0.461087 0.461087 0.854606 O\n0.635460 0.635460 0.469954 S\n0.364540 0.364540 0.530046 S\n0.215455 0.215455 0.160659 Se\n0.784545 0.784545 0.839341 Se\n0.050415 0.050415 0.268826 Tb\n0.949585 0.949585 0.731174 Tb\n",
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"spacegroup": 12
},
{
"id": "oqmd-1558203",
"created_at": "2022-09-04T15:55:42.328306Z",
"updated_at": "2022-09-04T15:55:42.328326Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.601268 -1.969769 0.000000\n7.601268 1.969769 0.000000\n-0.638934 0.000000 9.487172\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.612536 0.612536 0.453146 Ho\n0.387464 0.387464 0.546854 Ho\n0.108553 0.108553 0.328478 N\n0.891447 0.891447 0.671522 N\n0.967091 0.967091 0.225539 Nd\n0.032909 0.032909 0.774461 Nd\n0.469484 0.469484 0.357787 O\n0.530516 0.530516 0.642213 O\n0.792852 0.792852 0.346895 S\n0.207148 0.207148 0.653105 S\n0.376033 0.376033 0.000588 Se\n0.623967 0.623967 0.999412 Se\n0.212687 0.212687 0.186465 Tb\n0.787313 0.787313 0.813535 Tb\n",
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},
{
"id": "oqmd-1558084",
"created_at": "2022-09-04T15:55:39.319293Z",
"updated_at": "2022-09-04T15:55:39.319312Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672929 -1.956121 0.000000\n7.672929 1.956121 0.000000\n-1.543232 0.000000 9.697019\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952722 0.952722 0.240945 Ho\n0.047278 0.047278 0.759055 Ho\n0.097615 0.097615 0.305579 N\n0.902385 0.902385 0.694421 N\n0.614781 0.614781 0.448176 Nd\n0.385219 0.385219 0.551824 Nd\n0.462013 0.462013 0.356294 O\n0.537987 0.537987 0.643706 O\n0.786923 0.786923 0.339949 S\n0.213077 0.213077 0.660051 S\n0.371130 0.371130 0.029305 Se\n0.628870 0.628870 0.970695 Se\n0.198719 0.198719 0.173692 Tb\n0.801281 0.801281 0.826308 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.34317324403366,
"spacegroup": 12
},
{
"id": "oqmd-1558153",
"created_at": "2022-09-04T15:55:42.808425Z",
"updated_at": "2022-09-04T15:55:42.808451Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.798393 -1.943270 0.000000\n7.798393 1.943270 0.000000\n-1.761071 0.000000 9.685535\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.944648 0.944648 0.244973 Ho\n0.055352 0.055352 0.755027 Ho\n0.088260 0.088260 0.305328 N\n0.911740 0.911740 0.694672 N\n0.186991 0.186991 0.162824 Nd\n0.813009 0.813009 0.837176 Nd\n0.458706 0.458706 0.363916 O\n0.541294 0.541294 0.636084 O\n0.369477 0.369477 0.043580 S\n0.630523 0.630523 0.956420 S\n0.783186 0.783186 0.354028 Se\n0.216814 0.216814 0.645972 Se\n0.605477 0.605477 0.441528 Tb\n0.394523 0.394523 0.558472 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 293.55661709816735,
"volume_molar": 12.627423351389906,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3293183761765164,
"spacegroup": 12
},
{
"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",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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}
]
}