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{
"id": "oqmd-1557675",
"created_at": "2022-09-04T15:55:40.063447Z",
"updated_at": "2022-09-04T15:55:40.063472Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.823976 -1.927924 0.000000\n7.823976 1.927924 0.000000\n-1.628378 0.000000 9.542830\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.808969 0.808969 0.339267 Er\n0.191031 0.191031 0.660733 Er\n0.050982 0.050982 0.268916 Ho\n0.949018 0.949018 0.731084 Ho\n0.907712 0.907712 0.209551 N\n0.092288 0.092288 0.790449 N\n0.389921 0.389921 0.059355 Nd\n0.610079 0.610079 0.940645 Nd\n0.539734 0.539734 0.146618 O\n0.460266 0.460266 0.853382 O\n0.635809 0.635809 0.468640 S\n0.364191 0.364191 0.531360 S\n0.215461 0.215461 0.161199 Se\n0.784539 0.784539 0.838801 Se\n",
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{
"id": "oqmd-1557683",
"created_at": "2022-09-04T15:55:39.810093Z",
"updated_at": "2022-09-04T15:55:39.810115Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.534518 -1.930968 0.000000\n7.534518 1.930968 0.000000\n-1.191636 0.000000 9.435501\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.204943 0.204943 0.183055 Er\n0.795057 0.795057 0.816945 Er\n0.956393 0.956393 0.234989 Gd\n0.043607 0.043607 0.765011 Gd\n0.612131 0.612131 0.448752 Ho\n0.387869 0.387869 0.551248 Ho\n0.101948 0.101948 0.317727 N\n0.898052 0.898052 0.682273 N\n0.464026 0.464026 0.360047 O\n0.535974 0.535974 0.639953 O\n0.788433 0.788433 0.348075 S\n0.211567 0.211567 0.651925 S\n0.370662 0.370662 0.016727 Se\n0.629338 0.629338 0.983273 Se\n",
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"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558255",
"created_at": "2022-09-04T15:55:39.897054Z",
"updated_at": "2022-09-04T15:55:39.897064Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.857865 -1.942692 0.000000\n7.857865 1.942692 0.000000\n-1.707460 0.000000 9.653458\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.811621 0.811621 0.340333 Gd\n0.188379 0.188379 0.659667 Gd\n0.052655 0.052655 0.263848 Ho\n0.947345 0.947345 0.736152 Ho\n0.909877 0.909877 0.206735 N\n0.090123 0.090123 0.793265 N\n0.390721 0.390721 0.058702 Nd\n0.609279 0.609279 0.941298 Nd\n0.540461 0.540461 0.143909 O\n0.459539 0.459539 0.856091 O\n0.633738 0.633738 0.462909 S\n0.366262 0.366262 0.537091 S\n0.216257 0.216257 0.158706 Se\n0.783743 0.783743 0.841294 Se\n",
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"elements": [
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"density": 6.844955870126185,
"density_atomic": 0.047501422301801106,
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"volume_molar": 12.677811459493203,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557810",
"created_at": "2022-09-04T15:55:39.901669Z",
"updated_at": "2022-09-04T15:55:39.901693Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.801331 -1.928851 -0.006324\n7.801331 1.928851 -0.006324\n-1.633607 0.000000 9.554308\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051562 0.051562 0.267549 Er\n0.948438 0.948438 0.732451 Er\n0.809502 0.809502 0.340682 Ho\n0.190498 0.190498 0.659317 Ho\n0.908240 0.908240 0.209845 N\n0.091760 0.091760 0.790155 N\n0.389732 0.389732 0.059214 Nd\n0.610269 0.610269 0.940787 Nd\n0.540142 0.540142 0.146551 O\n0.459858 0.459858 0.853449 O\n0.634635 0.634635 0.466170 S\n0.365364 0.365364 0.533829 S\n0.215391 0.215391 0.160792 Se\n0.784609 0.784609 0.839209 Se\n",
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"elements": [
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"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557775",
"created_at": "2022-09-04T15:55:40.096677Z",
"updated_at": "2022-09-04T15:55:40.096710Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.724416 -1.928070 0.000000\n7.724416 1.928070 0.000000\n-1.413332 0.000000 9.450975\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606173 0.606173 0.441159 Er\n0.393827 0.393827 0.558841 Er\n0.948991 0.948991 0.234338 Gd\n0.051009 0.051009 0.765662 Gd\n0.094481 0.094481 0.306373 N\n0.905519 0.905519 0.693627 N\n0.461528 0.461528 0.362557 O\n0.538472 0.538472 0.637443 O\n0.365551 0.365551 0.029574 S\n0.634449 0.634449 0.970426 S\n0.785243 0.785243 0.353616 Se\n0.214757 0.214757 0.646384 Se\n0.194609 0.194609 0.168115 Tb\n0.805391 0.805391 0.831885 Tb\n",
"nsites": 14,
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"elements": [
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"N",
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],
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"density": 7.367030131478132,
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557664",
"created_at": "2022-09-04T15:55:40.338430Z",
"updated_at": "2022-09-04T15:55:40.338454Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.794851 -1.954256 0.000000\n7.794851 1.954256 0.000000\n-1.177423 0.000000 9.481692\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605464 0.605464 0.442029 Er\n0.394536 0.394536 0.557971 Er\n0.097286 0.097286 0.311584 N\n0.902714 0.902714 0.688416 N\n0.951446 0.951446 0.227363 Nd\n0.048554 0.048554 0.772637 Nd\n0.463288 0.463288 0.362914 O\n0.536712 0.536712 0.637086 O\n0.364983 0.364983 0.019310 S\n0.635017 0.635017 0.980690 S\n0.785775 0.785775 0.353852 Se\n0.214225 0.214225 0.646148 Se\n0.197962 0.197962 0.172662 Tb\n0.802038 0.802038 0.827338 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557680",
"created_at": "2022-09-04T15:55:39.500604Z",
"updated_at": "2022-09-04T15:55:39.500631Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716663 -1.915558 0.000000\n7.716663 1.915558 0.000000\n-1.580946 0.000000 9.465865\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.947538 0.947538 0.236805 Er\n0.052462 0.052462 0.763195 Er\n0.091558 0.091558 0.299062 N\n0.908442 0.908442 0.700938 N\n0.459815 0.459815 0.359736 O\n0.540185 0.540185 0.640264 O\n0.366607 0.366607 0.035143 S\n0.633393 0.633393 0.964857 S\n0.784505 0.784505 0.347994 Se\n0.215495 0.215495 0.652006 Se\n0.607293 0.607293 0.440100 Tb\n0.392707 0.392707 0.559900 Tb\n0.191208 0.191208 0.163442 Y\n0.808792 0.808792 0.836558 Y\n",
"nsites": 14,
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"spacegroup": 12
},
{
"id": "oqmd-1558200",
"created_at": "2022-09-04T15:55:39.678435Z",
"updated_at": "2022-09-04T15:55:39.678459Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.814036 -1.959663 0.000000\n7.814036 1.959663 0.000000\n-1.195353 0.000000 9.515032\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802632 0.802632 0.329420 Dy\n0.197368 0.197368 0.670580 Dy\n0.901112 0.901112 0.190967 N\n0.098888 0.098888 0.809033 N\n0.046615 0.046615 0.274127 Nd\n0.953385 0.953385 0.725873 Nd\n0.535768 0.535768 0.140031 O\n0.464232 0.464232 0.859969 O\n0.634102 0.634102 0.481999 S\n0.365898 0.365898 0.518001 S\n0.213631 0.213631 0.152494 Se\n0.786369 0.786369 0.847506 Se\n0.392203 0.392203 0.056262 Tb\n0.607797 0.607797 0.943738 Tb\n",
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557674",
"created_at": "2022-09-04T15:55:39.731134Z",
"updated_at": "2022-09-04T15:55:39.731154Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.547436 -1.921391 0.000000\n7.547436 1.921391 0.000000\n-1.488627 0.000000 9.488122\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.199000 0.199000 0.179394 Er\n0.801000 0.801000 0.820606 Er\n0.950251 0.950251 0.242000 Ho\n0.049749 0.049749 0.758000 Ho\n0.096734 0.096734 0.310392 N\n0.903266 0.903266 0.689608 N\n0.460025 0.460025 0.361105 O\n0.539975 0.539975 0.638895 O\n0.784997 0.784997 0.348353 S\n0.215003 0.215003 0.651647 S\n0.368665 0.368665 0.026794 Se\n0.631335 0.631335 0.973206 Se\n0.612047 0.612047 0.445955 Y\n0.387953 0.387953 0.554045 Y\n",
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"spacegroup": 12
},
{
"id": "oqmd-1557737",
"created_at": "2022-09-04T15:55:39.726848Z",
"updated_at": "2022-09-04T15:55:39.726864Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.648326 -1.947617 0.000000\n7.648326 1.947617 0.000000\n-1.637925 0.000000 9.685134\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.196942 0.196942 0.173378 Dy\n0.803058 0.803058 0.826622 Dy\n0.950171 0.950171 0.241250 Er\n0.049829 0.049829 0.758750 Er\n0.095683 0.095683 0.302832 N\n0.904317 0.904317 0.697168 N\n0.614356 0.614356 0.446920 Nd\n0.385644 0.385644 0.553080 Nd\n0.460381 0.460381 0.356389 O\n0.539619 0.539619 0.643611 O\n0.785494 0.785494 0.340305 S\n0.214506 0.214506 0.659695 S\n0.369583 0.369583 0.031078 Se\n0.630417 0.630417 0.968922 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558099",
"created_at": "2022-09-04T15:55:39.336146Z",
"updated_at": "2022-09-04T15:55:39.336156Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.695635 -1.966746 0.000000\n7.695635 1.966746 0.000000\n-1.441482 0.000000 9.700669\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.799514 0.799514 0.323339 Dy\n0.200486 0.200486 0.676661 Dy\n0.046439 0.046439 0.263502 Gd\n0.953561 0.953561 0.736498 Gd\n0.900541 0.900541 0.192557 N\n0.099459 0.099459 0.807443 N\n0.385280 0.385280 0.051496 Nd\n0.614720 0.614720 0.948504 Nd\n0.537414 0.537414 0.143889 O\n0.462586 0.462586 0.856111 O\n0.213135 0.213135 0.159878 S\n0.786865 0.786865 0.840122 S\n0.630619 0.630619 0.476749 Se\n0.369381 0.369381 0.523251 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.842686311051736,
"density_atomic": 0.04767641782461434,
"volume": 293.64622257278927,
"volume_molar": 12.63127775696876,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.43436796848604,
"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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"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}