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{
"id": "oqmd-1557234",
"created_at": "2022-09-04T15:55:45.572208Z",
"updated_at": "2022-09-04T15:55:45.572226Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.621793 -1.960372 0.000000\n7.621793 1.960372 0.000000\n-1.571025 0.000000 9.706043\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.390452 0.390452 0.051785 Ho\n0.609548 0.609548 0.948215 Ho\n0.904756 0.904756 0.180154 N\n0.095244 0.095244 0.819846 N\n0.801739 0.801739 0.320534 Nd\n0.198261 0.198261 0.679466 Nd\n0.539270 0.539270 0.134299 O\n0.460730 0.460730 0.865701 O\n0.213386 0.213386 0.142763 S\n0.786614 0.786614 0.857237 S\n0.625096 0.625096 0.466312 Se\n0.374904 0.374904 0.533688 Se\n0.050836 0.050836 0.251464 Y\n0.949164 0.949164 0.748536 Y\n",
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{
"id": "oqmd-1557312",
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"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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{
"id": "oqmd-1557103",
"created_at": "2022-09-04T15:55:46.731062Z",
"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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"spacegroup": 12
},
{
"id": "oqmd-1557281",
"created_at": "2022-09-04T15:55:46.572926Z",
"updated_at": "2022-09-04T15:55:46.572953Z",
"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-1557124",
"created_at": "2022-09-04T15:55:47.364966Z",
"updated_at": "2022-09-04T15:55:47.364994Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.775954 -1.955208 0.000000\n7.775954 1.955208 0.000000\n-1.218946 0.000000 9.489081\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393863 0.393863 0.057774 Ho\n0.606137 0.606137 0.942226 Ho\n0.902399 0.902399 0.190414 N\n0.097601 0.097601 0.809586 N\n0.048706 0.048706 0.274495 Nd\n0.951294 0.951294 0.725505 Nd\n0.537129 0.537129 0.138971 O\n0.462871 0.462871 0.861029 O\n0.636322 0.636322 0.480997 S\n0.363678 0.363678 0.519003 S\n0.213796 0.213796 0.146822 Se\n0.786204 0.786204 0.853178 Se\n0.801596 0.801596 0.327226 Y\n0.198404 0.198404 0.672774 Y\n",
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"formula_full": "Nd2 Y2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557292",
"created_at": "2022-09-04T15:55:46.682767Z",
"updated_at": "2022-09-04T15:55:46.682780Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.799791 -1.953671 0.000000\n7.799791 1.953671 0.000000\n-1.167927 0.000000 9.465133\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.801326 0.801326 0.328476 Ho\n0.198674 0.198674 0.671524 Ho\n0.901026 0.901026 0.192063 N\n0.098974 0.098974 0.807937 N\n0.046768 0.046768 0.275586 Nd\n0.953232 0.953232 0.724414 Nd\n0.536492 0.536492 0.140815 O\n0.463508 0.463508 0.859185 O\n0.635737 0.635737 0.483282 S\n0.364263 0.364263 0.516718 S\n0.213531 0.213531 0.150345 Se\n0.786469 0.786469 0.849655 Se\n0.392372 0.392372 0.057360 Y\n0.607628 0.607628 0.942640 Y\n",
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},
{
"id": "oqmd-1558089",
"created_at": "2022-09-04T15:55:41.533014Z",
"updated_at": "2022-09-04T15:55:41.533030Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.804682 -1.956167 0.000000\n7.804682 1.956167 0.000000\n-1.196093 0.000000 9.495425\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802217 0.802217 0.328864 Ho\n0.197783 0.197783 0.671136 Ho\n0.900913 0.900913 0.192021 N\n0.099087 0.099087 0.807979 N\n0.046569 0.046569 0.275405 Nd\n0.953431 0.953431 0.724595 Nd\n0.535858 0.535858 0.140640 O\n0.464142 0.464142 0.859360 O\n0.635140 0.635140 0.482884 S\n0.364860 0.364860 0.517116 S\n0.213674 0.213674 0.152416 Se\n0.786326 0.786326 0.847584 Se\n0.392174 0.392174 0.056635 Tb\n0.607826 0.607826 0.943365 Tb\n",
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"elements": [
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],
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"density": 6.977223923313728,
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},
{
"id": "oqmd-1558085",
"created_at": "2022-09-04T15:55:41.530862Z",
"updated_at": "2022-09-04T15:55:41.530889Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.794580 -1.948427 0.000000\n7.794580 1.948427 0.000000\n-1.655728 0.000000 9.657673\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.604322 0.604322 0.441290 Ho\n0.395678 0.395678 0.558710 Ho\n0.089569 0.089569 0.308997 N\n0.910431 0.910431 0.691003 N\n0.189047 0.189047 0.165781 Nd\n0.810953 0.810953 0.834219 Nd\n0.459286 0.459286 0.365613 O\n0.540714 0.540714 0.634387 O\n0.369316 0.369316 0.039726 S\n0.630684 0.630684 0.960274 S\n0.783377 0.783377 0.356719 Se\n0.216623 0.216623 0.643281 Se\n0.945013 0.945013 0.243392 Tb\n0.054987 0.054987 0.756608 Tb\n",
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],
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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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},
{
"id": "oqmd-1558166",
"created_at": "2022-09-04T15:55:41.489066Z",
"updated_at": "2022-09-04T15:55:41.489082Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.846593 -1.939513 0.000000\n7.846593 1.939513 0.000000\n-1.700913 0.000000 9.630635\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.947531 0.947531 0.235547 Ho\n0.052469 0.052469 0.764453 Ho\n0.090701 0.090701 0.292704 N\n0.909299 0.909299 0.707296 N\n0.609631 0.609631 0.441125 Nd\n0.390369 0.390369 0.558875 Nd\n0.459596 0.459596 0.355540 O\n0.540404 0.540404 0.644460 O\n0.365524 0.365524 0.035828 S\n0.634476 0.634476 0.964172 S\n0.783615 0.783615 0.340821 Se\n0.216385 0.216385 0.659179 Se\n0.188610 0.188610 0.159863 Tb\n0.811390 0.811390 0.840137 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": -2.3227506611765167,
"spacegroup": 12
},
{
"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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"volume": 291.08855972259096,
"volume_molar": 12.521259144822212,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.34317324403366,
"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",
"formula_reduced": "TbNdHoSeSNO",
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"spacegroup": 12
}
]
}