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{
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{
"id": "oqmd-1557751",
"created_at": "2022-09-04T15:55:39.975099Z",
"updated_at": "2022-09-04T15:55:39.975120Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.643697 -1.945636 0.000000\n7.643697 1.945636 0.000000\n-1.557793 0.000000 9.637809\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198565 0.198565 0.174175 Er\n0.801435 0.801435 0.825825 Er\n0.951479 0.951479 0.238406 Ho\n0.048521 0.048521 0.761594 Ho\n0.097326 0.097326 0.302417 N\n0.902674 0.902674 0.697583 N\n0.615001 0.615001 0.447225 Nd\n0.384999 0.384999 0.552775 Nd\n0.461056 0.461056 0.355535 O\n0.538944 0.538944 0.644465 O\n0.785682 0.785682 0.338760 S\n0.214318 0.214318 0.661240 S\n0.368414 0.368414 0.027711 Se\n0.631586 0.631586 0.972289 Se\n",
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{
"id": "oqmd-1557760",
"created_at": "2022-09-04T15:55:40.096340Z",
"updated_at": "2022-09-04T15:55:40.096367Z",
"structure_string": "Dy2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.713279 -1.917639 0.000000\n7.713279 1.917639 0.000000\n-1.475475 0.000000 9.395886\nDy Er N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.607017 0.607017 0.440383 Dy\n0.392983 0.392983 0.559617 Dy\n0.193498 0.193498 0.166533 Er\n0.806502 0.806502 0.833467 Er\n0.093944 0.093944 0.300349 N\n0.906056 0.906056 0.699651 N\n0.461121 0.461121 0.359874 O\n0.538879 0.538879 0.640126 O\n0.364522 0.364522 0.028978 S\n0.635478 0.635478 0.971022 S\n0.784857 0.784857 0.348620 Se\n0.215143 0.215143 0.651380 Se\n0.948900 0.948900 0.232386 Y\n0.051100 0.051100 0.767614 Y\n",
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],
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"volume_molar": 11.956291519012805,
"formula_full": "Dy2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyYErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557749",
"created_at": "2022-09-04T15:55:38.230932Z",
"updated_at": "2022-09-04T15:55:38.230947Z",
"structure_string": "Dy2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.728252 -1.912079 0.000000\n7.728252 1.912079 0.000000\n-1.591028 0.000000 9.439480\nDy Er N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.809425 0.809425 0.336007 Dy\n0.190575 0.190575 0.663993 Dy\n0.052527 0.052527 0.262602 Er\n0.947473 0.947473 0.737398 Er\n0.908588 0.908588 0.200627 N\n0.091412 0.091412 0.799373 N\n0.540327 0.540327 0.140050 O\n0.459673 0.459673 0.859950 O\n0.633187 0.633187 0.465764 S\n0.366813 0.366813 0.534236 S\n0.215908 0.215908 0.151015 Se\n0.784092 0.784092 0.848985 Se\n0.392959 0.392959 0.060073 Y\n0.607041 0.607041 0.939927 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.662942792416295,
"density_atomic": 0.050183721304285576,
"volume": 278.97492725005293,
"volume_molar": 12.000187717218417,
"formula_full": "Dy2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4569792238431845,
"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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"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.915400446071131,
"density_atomic": 0.04804999986184118,
"volume": 291.3631642092485,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
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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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"elements": [
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],
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"density": 6.599841106528378,
"density_atomic": 0.0500279714256911,
"volume": 279.84344759600856,
"volume_molar": 12.037547372763193,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
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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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"S",
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],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.934001174345058,
"density_atomic": 0.04798701558857453,
"volume": 291.7455863484315,
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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-1557742",
"created_at": "2022-09-04T15:55:39.768646Z",
"updated_at": "2022-09-04T15:55:39.768656Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.610804 -1.951901 0.000000\n7.610804 1.951901 0.000000\n-1.658744 0.000000 9.725913\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051511 0.051511 0.248492 Er\n0.948489 0.948489 0.751508 Er\n0.906067 0.906067 0.183429 N\n0.093933 0.093933 0.816571 N\n0.803841 0.803841 0.324256 Nd\n0.196159 0.196159 0.675744 Nd\n0.540600 0.540600 0.135736 O\n0.459400 0.459400 0.864264 O\n0.214011 0.214011 0.144715 S\n0.785989 0.785989 0.855285 S\n0.624339 0.624339 0.461869 Se\n0.375661 0.375661 0.538131 Se\n0.388971 0.388971 0.051982 Y\n0.611029 0.611029 0.948018 Y\n",
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"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557803",
"created_at": "2022-09-04T15:55:38.389552Z",
"updated_at": "2022-09-04T15:55:38.389576Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.726134 -1.920313 0.000000\n7.726134 1.920313 0.000000\n-1.493108 0.000000 9.413552\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.193402 0.193402 0.165711 Er\n0.806598 0.806598 0.834289 Er\n0.093823 0.093823 0.298761 N\n0.906177 0.906177 0.701239 N\n0.461076 0.461076 0.359089 O\n0.538924 0.538924 0.640911 O\n0.364421 0.364421 0.029144 S\n0.635579 0.635579 0.970856 S\n0.784842 0.784842 0.347394 Se\n0.215158 0.215158 0.652606 Se\n0.607479 0.607479 0.440447 Tb\n0.392521 0.392521 0.559553 Tb\n0.948891 0.948891 0.232027 Y\n0.051109 0.051109 0.767973 Y\n",
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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"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",
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},
{
"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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"elements": [
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],
"chemical_system": "Dy-Gd-Ho-N-O-S-Se",
"density": 7.3411451927023075,
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"volume": 283.06707742563896,
"volume_molar": 12.176212748421545,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.45926613253366,
"spacegroup": 12
},
{
"id": "oqmd-1557669",
"created_at": "2022-09-04T15:55:39.692362Z",
"updated_at": "2022-09-04T15:55:39.692374Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.551106 -1.932117 0.000000\n7.551106 1.932117 0.000000\n-1.442657 0.000000 9.526235\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950075 0.950075 0.243429 Dy\n0.049925 0.049925 0.756571 Dy\n0.610364 0.610364 0.446827 Er\n0.389636 0.389636 0.553173 Er\n0.096682 0.096682 0.316228 N\n0.903318 0.903318 0.683772 N\n0.460988 0.460988 0.363841 O\n0.539012 0.539012 0.636159 O\n0.785667 0.785667 0.353046 S\n0.214333 0.214333 0.646954 S\n0.370961 0.370961 0.027105 Se\n0.629039 0.629039 0.972895 Se\n0.199394 0.199394 0.181225 Tb\n0.800606 0.800606 0.818775 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.52364277538568,
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"volume": 277.96830253227847,
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.391319468795565,
"spacegroup": 12
},
{
"id": "oqmd-1558229",
"created_at": "2022-09-04T15:55:39.734092Z",
"updated_at": "2022-09-04T15:55:39.734110Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.651757 -1.978403 0.000000\n7.651757 1.978403 0.000000\n-0.836081 0.000000 9.569984\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.613757 0.613757 0.452817 Gd\n0.386243 0.386243 0.547183 Gd\n0.107687 0.107687 0.323658 N\n0.892313 0.892313 0.676342 N\n0.964510 0.964510 0.227064 Nd\n0.035490 0.035490 0.772936 Nd\n0.468501 0.468501 0.356823 O\n0.531499 0.531499 0.643177 O\n0.792000 0.792000 0.344794 S\n0.208000 0.208000 0.655206 S\n0.373849 0.373849 0.005114 Se\n0.626151 0.626151 0.994886 Se\n0.210554 0.210554 0.184632 Tb\n0.789446 0.789446 0.815368 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.893826741903539,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
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"spacegroup": 12
}
]
}