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{
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"results": [
{
"id": "oqmd-1558121",
"created_at": "2022-09-04T15:55:39.396650Z",
"updated_at": "2022-09-04T15:55:39.396666Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.641112 -1.961051 0.000000\n7.641112 1.961051 0.000000\n-1.473355 0.000000 9.706875\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.609834 0.609834 0.449126 Ho\n0.390166 0.390166 0.550874 Ho\n0.096637 0.096637 0.321537 N\n0.903363 0.903363 0.678463 N\n0.199822 0.199822 0.180176 Nd\n0.800178 0.800178 0.819824 Nd\n0.462181 0.462181 0.365123 O\n0.537819 0.537819 0.634877 O\n0.787726 0.787726 0.356242 S\n0.212274 0.212274 0.643758 S\n0.375463 0.375463 0.031153 Se\n0.624537 0.624537 0.968847 Se\n0.951558 0.951558 0.247543 Tb\n0.048442 0.048442 0.752457 Tb\n",
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"elements": [
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"density_atomic": 0.04812526669730402,
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"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,
"nelements": 7,
"elements": [
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558090",
"created_at": "2022-09-04T15:55:39.324463Z",
"updated_at": "2022-09-04T15:55:39.324480Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808644 -1.960693 0.000000\n7.808644 1.960693 0.000000\n-1.182763 0.000000 9.515233\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607102 0.607102 0.443697 Dy\n0.392898 0.392898 0.556303 Dy\n0.098672 0.098672 0.310872 N\n0.901328 0.901328 0.689128 N\n0.953275 0.953275 0.226797 Nd\n0.046725 0.046725 0.773203 Nd\n0.464213 0.464213 0.360901 O\n0.535787 0.535787 0.639099 O\n0.366574 0.366574 0.018629 S\n0.633426 0.633426 0.981371 S\n0.786489 0.786489 0.349563 Se\n0.213511 0.213511 0.650437 Se\n0.197681 0.197681 0.171137 Tb\n0.802319 0.802319 0.828863 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.915400446071131,
"density_atomic": 0.04804999986184118,
"volume": 291.3631642092485,
"volume_molar": 12.533071336764918,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3276903537955653,
"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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"elements": [
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"density_atomic": 0.0500279714256911,
"volume": 279.84344759600856,
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"formula_full": "Tb2 Y2 Er2 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",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.934001174345058,
"density_atomic": 0.04798701558857453,
"volume": 291.7455863484315,
"volume_molar": 12.54952133642135,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
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"formation_energy": -2.3474378804622305,
"spacegroup": 12
},
{
"id": "oqmd-1557661",
"created_at": "2022-09-04T15:55:40.010070Z",
"updated_at": "2022-09-04T15:55:40.010103Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.688905 -1.908581 0.000000\n7.688905 1.908581 0.000000\n-1.489503 0.000000 9.369879\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607345 0.607345 0.440611 Dy\n0.392655 0.392655 0.559389 Dy\n0.192940 0.192940 0.165907 Er\n0.807060 0.807060 0.834093 Er\n0.948915 0.948915 0.233555 Ho\n0.051085 0.051085 0.766445 Ho\n0.093284 0.093284 0.299651 N\n0.906716 0.906716 0.700349 N\n0.461004 0.461004 0.358967 O\n0.538996 0.538996 0.641033 O\n0.364922 0.364922 0.030314 S\n0.635078 0.635078 0.969686 S\n0.785019 0.785019 0.348577 Se\n0.214981 0.214981 0.651423 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.677258879975479,
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558529",
"created_at": "2022-09-04T15:55:43.409232Z",
"updated_at": "2022-09-04T15:55:43.409260Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.755761 -1.924840 0.000000\n7.755761 1.924840 0.000000\n-1.504474 0.000000 9.480698\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948735 0.948735 0.233841 Dy\n0.051265 0.051265 0.766159 Dy\n0.607963 0.607963 0.440113 Gd\n0.392037 0.392037 0.559887 Gd\n0.192260 0.192260 0.164195 Ho\n0.807740 0.807740 0.835805 Ho\n0.093275 0.093275 0.297996 N\n0.906725 0.906725 0.702004 N\n0.460819 0.460819 0.358753 O\n0.539181 0.539181 0.641247 O\n0.365309 0.365309 0.030690 S\n0.634691 0.634691 0.969310 S\n0.784470 0.784470 0.346359 Se\n0.215530 0.215530 0.653641 Se\n",
"nsites": 14,
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},
{
"id": "oqmd-1557673",
"created_at": "2022-09-04T15:55:39.853562Z",
"updated_at": "2022-09-04T15:55:39.853588Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.678480 -1.906463 0.000000\n7.678480 1.906463 0.000000\n-1.548824 0.000000 9.404289\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.808537 0.808537 0.334945 Dy\n0.191463 0.191463 0.665055 Dy\n0.052405 0.052405 0.263334 Er\n0.947595 0.947595 0.736666 Er\n0.393630 0.393630 0.059843 Ho\n0.606370 0.606370 0.940157 Ho\n0.908000 0.908000 0.198704 N\n0.092000 0.092000 0.801296 N\n0.539897 0.539897 0.139353 O\n0.460103 0.460103 0.860647 O\n0.632862 0.632862 0.466321 S\n0.367138 0.367138 0.533679 S\n0.215233 0.215233 0.149686 Se\n0.784767 0.784767 0.850314 Se\n",
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},
{
"id": "oqmd-1557771",
"created_at": "2022-09-04T15:55:39.878987Z",
"updated_at": "2022-09-04T15:55:39.879005Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.527872 -1.920936 0.000000\n7.527872 1.920936 0.000000\n-1.511763 0.000000 9.508977\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050685 0.050685 0.254887 Er\n0.949315 0.949315 0.745113 Er\n0.389132 0.389132 0.054284 Ho\n0.610868 0.610868 0.945716 Ho\n0.904390 0.904390 0.187364 N\n0.095610 0.095610 0.812636 N\n0.539949 0.539949 0.136842 O\n0.460051 0.460051 0.863158 O\n0.214447 0.214447 0.148075 S\n0.785553 0.785553 0.851925 S\n0.629868 0.629868 0.469516 Se\n0.370132 0.370132 0.530484 Se\n0.801303 0.801303 0.320997 Y\n0.198697 0.198697 0.679003 Y\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-1557761",
"created_at": "2022-09-04T15:55:39.824137Z",
"updated_at": "2022-09-04T15:55:39.824165Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.599576 -1.952340 0.000000\n7.599576 1.952340 0.000000\n-1.585464 0.000000 9.695836\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.948757 0.948757 0.249843 Dy\n0.051243 0.051243 0.750157 Dy\n0.609249 0.609249 0.448112 Er\n0.390751 0.390751 0.551888 Er\n0.094693 0.094693 0.320561 N\n0.905307 0.905307 0.679439 N\n0.197940 0.197940 0.180091 Nd\n0.802060 0.802060 0.819909 Nd\n0.460335 0.460335 0.366267 O\n0.539665 0.539665 0.633733 O\n0.786600 0.786600 0.359025 S\n0.213400 0.213400 0.640975 S\n0.374668 0.374668 0.034115 Se\n0.625332 0.625332 0.965885 Se\n",
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],
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"volume_molar": 12.376075161736084,
"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdDyErSeSNO",
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"formation_energy": -2.4430764945574697,
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},
{
"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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],
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
}
]
}