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{
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{
"id": "oqmd-1558179",
"created_at": "2022-09-04T15:55:41.948377Z",
"updated_at": "2022-09-04T15:55:41.948399Z",
"structure_string": "Tb2 Nd4 Se2 S2 N2 O2\n1.0\n7.749014 -1.986388 0.000000\n7.749014 1.986388 0.000000\n-1.636047 0.000000 9.883679\nN Nd O S Se Tb\n2 4 2 2 2 2\ndirect\n0.096179 0.096179 0.310969 N\n0.903821 0.903821 0.689031 N\n0.197277 0.197277 0.172947 Nd\n0.613961 0.613961 0.449392 Nd\n0.386039 0.386039 0.550608 Nd\n0.802723 0.802723 0.827053 Nd\n0.461730 0.461730 0.359891 O\n0.538270 0.538270 0.640109 O\n0.786740 0.786740 0.345849 S\n0.213260 0.213260 0.654151 S\n0.374289 0.374289 0.034729 Se\n0.625711 0.625711 0.965271 Se\n0.951251 0.951251 0.245910 Tb\n0.048749 0.048749 0.754090 Tb\n",
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{
"id": "oqmd-1557344",
"created_at": "2022-09-04T15:55:47.591472Z",
"updated_at": "2022-09-04T15:55:47.591482Z",
"structure_string": "Tb2 Nd2 Y2 S4 N2 O2\n1.0\n7.622470 -1.945582 0.000000\n7.622470 1.945582 0.000000\n-1.249265 0.000000 9.430706\nN Nd O S Tb Y\n2 2 2 4 2 2\ndirect\n0.102091 0.102091 0.312117 N\n0.897909 0.897909 0.687883 N\n0.953778 0.953778 0.225332 Nd\n0.046222 0.046222 0.774668 Nd\n0.463979 0.463979 0.359612 O\n0.536021 0.536021 0.640388 O\n0.364769 0.364769 0.015520 S\n0.787965 0.787965 0.347601 S\n0.212035 0.212035 0.652399 S\n0.635231 0.635231 0.984480 S\n0.612446 0.612446 0.447477 Tb\n0.387554 0.387554 0.552523 Tb\n0.204639 0.204639 0.175824 Y\n0.795361 0.795361 0.824176 Y\n",
"nsites": 14,
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],
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"volume_molar": 12.03212490928163,
"formula_full": "Tb2 Nd2 Y2 S4 N2 O2",
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},
{
"id": "oqmd-1558032",
"created_at": "2022-09-04T15:55:41.650306Z",
"updated_at": "2022-09-04T15:55:41.650336Z",
"structure_string": "Nd2 Sm2 Dy2 Se4 N2 O2\n1.0\n7.885953 -1.985135 0.000000\n7.885953 1.985135 0.000000\n-1.602476 0.000000 9.921568\nDy N Nd O Se Sm\n2 2 2 2 4 2\ndirect\n0.050066 0.050066 0.251705 Dy\n0.949934 0.949934 0.748295 Dy\n0.908167 0.908167 0.190939 N\n0.091833 0.091833 0.809061 N\n0.809401 0.809401 0.331056 Nd\n0.190599 0.190599 0.668944 Nd\n0.539094 0.539094 0.137657 O\n0.460906 0.460906 0.862343 O\n0.214905 0.214905 0.148788 Se\n0.627148 0.627148 0.459635 Se\n0.372852 0.372852 0.540365 Se\n0.785095 0.785095 0.851212 Se\n0.391830 0.391830 0.055231 Sm\n0.608170 0.608170 0.944769 Sm\n",
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"elements": [
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],
"chemical_system": "Dy-N-Nd-O-Se-Sm",
"density": 6.896094242841056,
"density_atomic": 0.04506854068415975,
"volume": 310.63797024429914,
"volume_molar": 13.362182730084722,
"formula_full": "Nd2 Sm2 Dy2 Se4 N2 O2",
"formula_reduced": "NdSmDySe2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558018",
"created_at": "2022-09-04T15:55:41.714047Z",
"updated_at": "2022-09-04T15:55:41.714071Z",
"structure_string": "Nd2 Ho4 Se2 S2 N2 O2\n1.0\n7.611057 -1.950937 0.000000\n7.611057 1.950937 0.000000\n-1.549373 0.000000 9.699402\nHo N Nd O S Se\n4 2 2 2 2 2\ndirect\n0.951033 0.951033 0.249927 Ho\n0.610186 0.610186 0.449232 Ho\n0.389814 0.389814 0.550768 Ho\n0.048967 0.048967 0.750073 Ho\n0.095765 0.095765 0.320139 N\n0.904235 0.904235 0.679861 N\n0.198522 0.198522 0.178698 Nd\n0.801478 0.801478 0.821302 Nd\n0.461760 0.461760 0.365069 O\n0.538240 0.538240 0.634931 O\n0.787676 0.787676 0.356291 S\n0.212324 0.212324 0.643709 S\n0.376306 0.376306 0.034185 Se\n0.623694 0.623694 0.965815 Se\n",
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"elements": [
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"chemical_system": "Ho-N-Nd-O-S-Se",
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"density_atomic": 0.048603199666986306,
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"formula_full": "Nd2 Ho4 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1588910",
"created_at": "2022-09-04T15:56:54.926162Z",
"updated_at": "2022-09-04T15:56:54.926189Z",
"structure_string": "Y2 Er2 Tm2 Si4 Ni2 Ge2\n1.0\n5.163047 -2.098964 0.000000\n5.163047 2.098964 0.000000\n-4.691198 0.000000 12.690523\nEr Ge Ni Si Tm Y\n2 2 2 4 2 2\ndirect\n0.254449 0.254449 0.276287 Er\n0.745551 0.745551 0.723713 Er\n0.143700 0.143700 0.044228 Ge\n0.856300 0.856300 0.955772 Ge\n0.758480 0.758480 0.108954 Ni\n0.241520 0.241520 0.891046 Ni\n0.956439 0.956439 0.268492 Si\n0.886189 0.886189 0.425888 Si\n0.113811 0.113811 0.574112 Si\n0.043561 0.043561 0.731508 Si\n0.602156 0.602156 0.422663 Tm\n0.397844 0.397844 0.577337 Tm\n0.470483 0.470483 0.122406 Y\n0.529517 0.529517 0.877594 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-Ge-Ni-Si-Tm-Y",
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"formula_full": "Y2 Er2 Tm2 Si4 Ni2 Ge2",
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"spacegroup": 12
},
{
"id": "oqmd-1557725",
"created_at": "2022-09-04T15:55:38.011470Z",
"updated_at": "2022-09-04T15:55:38.011496Z",
"structure_string": "Dy2 Er4 Se2 S2 N2 O2\n1.0\n7.506443 -1.916041 0.000000\n7.506443 1.916041 0.000000\n-1.517148 0.000000 9.483188\nDy Er N O S Se\n2 4 2 2 2 2\ndirect\n0.801444 0.801444 0.319969 Dy\n0.198556 0.198556 0.680031 Dy\n0.389448 0.389448 0.054092 Er\n0.050624 0.050624 0.254544 Er\n0.949376 0.949376 0.745456 Er\n0.610552 0.610552 0.945908 Er\n0.904366 0.904366 0.186245 N\n0.095634 0.095634 0.813755 N\n0.540064 0.540064 0.136246 O\n0.459936 0.459936 0.863754 O\n0.214663 0.214663 0.147477 S\n0.785337 0.785337 0.852523 S\n0.629627 0.629627 0.470315 Se\n0.370373 0.370373 0.529685 Se\n",
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"elements": [
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"density_atomic": 0.05132213214115993,
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"formula_full": "Dy2 Er4 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557888",
"created_at": "2022-09-04T15:55:41.766171Z",
"updated_at": "2022-09-04T15:55:41.766198Z",
"structure_string": "Tb2 Nd2 Gd2 S4 N2 O2\n1.0\n7.682006 -1.942382 0.000000\n7.682006 1.942382 0.000000\n-1.627534 0.000000 9.553967\nGd N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.051588 0.051588 0.268748 Gd\n0.948412 0.948412 0.731252 Gd\n0.903957 0.903957 0.201385 N\n0.096043 0.096043 0.798615 N\n0.386052 0.386052 0.054178 Nd\n0.613948 0.613948 0.945822 Nd\n0.539569 0.539569 0.144734 O\n0.460431 0.460431 0.855266 O\n0.214671 0.214671 0.159854 S\n0.635439 0.635439 0.472119 S\n0.364561 0.364561 0.527881 S\n0.785329 0.785329 0.840146 S\n0.802522 0.802522 0.332658 Tb\n0.197478 0.197478 0.667342 Tb\n",
"nsites": 14,
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"elements": [
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],
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{
"id": "oqmd-1558701",
"created_at": "2022-09-04T15:55:41.708321Z",
"updated_at": "2022-09-04T15:55:41.708347Z",
"structure_string": "Sm2 Dy2 Y2 Se4 N2 O2\n1.0\n7.790623 -1.971223 0.000000\n7.790623 1.971223 0.000000\n-1.095905 0.000000 9.616017\nDy N O Se Sm Y\n2 2 2 4 2 2\ndirect\n0.199560 0.199560 0.178018 Dy\n0.800440 0.800440 0.821982 Dy\n0.099475 0.099475 0.314808 N\n0.900525 0.900525 0.685192 N\n0.464278 0.464278 0.360139 O\n0.535722 0.535722 0.639861 O\n0.369844 0.369844 0.019103 Se\n0.787523 0.787523 0.351208 Se\n0.212477 0.212477 0.648792 Se\n0.630156 0.630156 0.980897 Se\n0.956648 0.956648 0.233349 Sm\n0.043352 0.043352 0.766651 Sm\n0.607937 0.607937 0.445139 Y\n0.392063 0.392063 0.554861 Y\n",
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},
{
"id": "oqmd-1558050",
"created_at": "2022-09-04T15:55:41.705187Z",
"updated_at": "2022-09-04T15:55:41.705212Z",
"structure_string": "Nd2 Dy2 Ho2 Se4 N2 O2\n1.0\n7.839318 -1.961464 0.000000\n7.839318 1.961464 0.000000\n-1.470478 0.000000 9.758272\nDy Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.193140 0.193140 0.168033 Dy\n0.806860 0.806860 0.831967 Dy\n0.953988 0.953988 0.240126 Ho\n0.046012 0.046012 0.759874 Ho\n0.095417 0.095417 0.301301 N\n0.904583 0.904583 0.698699 N\n0.611312 0.611312 0.444622 Nd\n0.388688 0.388688 0.555378 Nd\n0.462641 0.462641 0.356365 O\n0.537359 0.537359 0.643635 O\n0.370194 0.370194 0.032169 Se\n0.786154 0.786154 0.340965 Se\n0.213846 0.213846 0.659035 Se\n0.629806 0.629806 0.967831 Se\n",
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{
"id": "oqmd-1588980",
"created_at": "2022-09-04T15:56:54.225407Z",
"updated_at": "2022-09-04T15:56:54.225435Z",
"structure_string": "Y2 Er2 Tm2 Si4 Ni2 Ge2\n1.0\n5.175448 -2.086176 0.000000\n5.175448 2.086176 0.000000\n-4.775369 0.000000 12.733813\nEr Ge Ni Si Tm Y\n2 2 2 4 2 2\ndirect\n0.252582 0.252582 0.269927 Er\n0.747418 0.747418 0.730073 Er\n0.875205 0.875205 0.422006 Ge\n0.124795 0.124795 0.577994 Ge\n0.753302 0.753302 0.097819 Ni\n0.246698 0.246698 0.902181 Ni\n0.137896 0.137896 0.043577 Si\n0.955213 0.955213 0.262561 Si\n0.044787 0.044787 0.737439 Si\n0.862104 0.862104 0.956423 Si\n0.597553 0.597553 0.419710 Tm\n0.402447 0.402447 0.580290 Tm\n0.470408 0.470408 0.119696 Y\n0.529592 0.529592 0.880304 Y\n",
"nsites": 14,
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],
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"density_atomic": 0.05091440559863235,
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},
{
"id": "oqmd-1557424",
"created_at": "2022-09-04T15:55:46.995814Z",
"updated_at": "2022-09-04T15:55:46.995849Z",
"structure_string": "Tb2 Nd2 Er2 S4 N2 O2\n1.0\n7.595681 -1.927795 0.000000\n7.595681 1.927795 0.000000\n-1.801432 0.000000 9.577013\nEr N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.945390 0.945390 0.244940 Er\n0.054610 0.054610 0.755060 Er\n0.091895 0.091895 0.308642 N\n0.908105 0.908105 0.691358 N\n0.193371 0.193371 0.167467 Nd\n0.806629 0.806629 0.832533 Nd\n0.458753 0.458753 0.362654 O\n0.541247 0.541247 0.637346 O\n0.370935 0.370935 0.040761 S\n0.785271 0.785271 0.352603 S\n0.214729 0.214729 0.647397 S\n0.629065 0.629065 0.959239 S\n0.610551 0.610551 0.446185 Tb\n0.389449 0.389449 0.553815 Tb\n",
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"formula_full": "Tb2 Nd2 Er2 S4 N2 O2",
"formula_reduced": "TbNdErS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1557702",
"created_at": "2022-09-04T15:55:39.949514Z",
"updated_at": "2022-09-04T15:55:39.949546Z",
"structure_string": "Nd2 Er2 Tm2 S4 N2 O2\n1.0\n7.612155 -1.908113 0.000000\n7.612155 1.908113 0.000000\n-1.679213 0.000000 9.431030\nEr N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.947205 0.947205 0.231894 Er\n0.052795 0.052795 0.768106 Er\n0.093940 0.093940 0.291826 N\n0.906060 0.906060 0.708174 N\n0.614028 0.614028 0.443682 Nd\n0.385972 0.385972 0.556318 Nd\n0.459057 0.459057 0.353523 O\n0.540943 0.540943 0.646477 O\n0.363028 0.363028 0.030196 S\n0.784291 0.784291 0.335555 S\n0.215709 0.215709 0.664445 S\n0.636972 0.636972 0.969804 S\n0.195953 0.195953 0.165154 Tm\n0.804047 0.804047 0.834846 Tm\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Er2 Tm2 S4 N2 O2",
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}
]
}