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{
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{
"id": "oqmd-1557763",
"created_at": "2022-09-04T15:55:38.240815Z",
"updated_at": "2022-09-04T15:55:38.240826Z",
"structure_string": "Tb2 Y2 Er2 S4 N2 O2\n1.0\n7.539001 -1.903599 0.000000\n7.539001 1.903599 0.000000\n-1.641085 0.000000 9.376593\nEr N O S Tb Y\n2 2 2 4 2 2\ndirect\n0.946862 0.946862 0.236883 Er\n0.053138 0.053138 0.763117 Er\n0.094005 0.094005 0.302504 N\n0.905995 0.905995 0.697496 N\n0.459397 0.459397 0.358943 O\n0.540603 0.540603 0.641057 O\n0.365625 0.365625 0.032317 S\n0.785305 0.785305 0.347708 S\n0.214695 0.214695 0.652292 S\n0.634375 0.634375 0.967683 S\n0.611303 0.611303 0.444027 Tb\n0.388697 0.388697 0.555973 Tb\n0.196774 0.196774 0.169409 Y\n0.803226 0.803226 0.830591 Y\n",
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{
"id": "oqmd-1557789",
"created_at": "2022-09-04T15:55:40.066024Z",
"updated_at": "2022-09-04T15:55:40.066046Z",
"structure_string": "Gd2 Er4 Se2 S2 N2 O2\n1.0\n7.533940 -1.926712 0.000000\n7.533940 1.926712 0.000000\n-1.533431 0.000000 9.545011\nEr Gd N O S Se\n4 2 2 2 2 2\ndirect\n0.949147 0.949147 0.246753 Er\n0.610171 0.610171 0.446490 Er\n0.389829 0.389829 0.553510 Er\n0.050853 0.050853 0.753247 Er\n0.198126 0.198126 0.179450 Gd\n0.801874 0.801874 0.820550 Gd\n0.095339 0.095339 0.315481 N\n0.904661 0.904661 0.684519 N\n0.460087 0.460087 0.364213 O\n0.539913 0.539913 0.635787 O\n0.785744 0.785744 0.353892 S\n0.214256 0.214256 0.646108 S\n0.372196 0.372196 0.031506 Se\n0.627804 0.627804 0.968494 Se\n",
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{
"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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"density": 7.768011295189754,
"density_atomic": 0.05132213214115993,
"volume": 272.7867961816831,
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"formula_full": "Dy2 Er4 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557728",
"created_at": "2022-09-04T15:55:38.013283Z",
"updated_at": "2022-09-04T15:55:38.013299Z",
"structure_string": "Tb2 Ho2 Er2 S4 N2 O2\n1.0\n7.524849 -1.903269 0.000000\n7.524849 1.903269 0.000000\n-1.499897 0.000000 9.323100\nEr Ho N O S Tb\n2 2 2 2 4 2\ndirect\n0.389709 0.389709 0.056213 Er\n0.610291 0.610291 0.943787 Er\n0.801689 0.801689 0.326779 Ho\n0.198311 0.198311 0.673221 Ho\n0.903904 0.903904 0.192522 N\n0.096096 0.096096 0.807478 N\n0.540042 0.540042 0.137745 O\n0.459958 0.459958 0.862255 O\n0.215581 0.215581 0.150220 S\n0.635673 0.635673 0.473252 S\n0.364327 0.364327 0.526748 S\n0.784419 0.784419 0.849780 S\n0.052659 0.052659 0.265229 Tb\n0.947341 0.947341 0.734771 Tb\n",
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"elements": [
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"chemical_system": "Er-Ho-N-O-S-Tb",
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{
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"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",
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},
{
"id": "oqmd-1557723",
"created_at": "2022-09-04T15:55:39.699795Z",
"updated_at": "2022-09-04T15:55:39.699820Z",
"structure_string": "Gd2 Er4 Se2 S2 N2 O2\n1.0\n7.719072 -1.910746 0.000000\n7.719072 1.910746 0.000000\n-1.561018 0.000000 9.421995\nEr Gd N O S Se\n4 2 2 2 2 2\ndirect\n0.051416 0.051416 0.266198 Er\n0.808058 0.808058 0.336428 Er\n0.191942 0.191942 0.663572 Er\n0.948584 0.948584 0.733802 Er\n0.391935 0.391935 0.059774 Gd\n0.608065 0.608065 0.940226 Gd\n0.907461 0.907461 0.203613 N\n0.092539 0.092539 0.796387 N\n0.539713 0.539713 0.142790 O\n0.460287 0.460287 0.857210 O\n0.634773 0.634773 0.468126 S\n0.365227 0.365227 0.531874 S\n0.215086 0.215086 0.154417 Se\n0.784914 0.784914 0.845583 Se\n",
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},
{
"id": "oqmd-1557729",
"created_at": "2022-09-04T15:55:38.137452Z",
"updated_at": "2022-09-04T15:55:38.137469Z",
"structure_string": "Nd2 Y2 Er2 S4 N2 O2\n1.0\n7.649859 -1.926663 0.000000\n7.649859 1.926663 0.000000\n-1.686094 0.000000 9.482494\nEr N Nd O S Y\n2 2 2 2 4 2\ndirect\n0.196430 0.196430 0.166958 Er\n0.803570 0.803570 0.833042 Er\n0.095009 0.095009 0.294125 N\n0.904991 0.904991 0.705875 N\n0.613807 0.613807 0.444405 Nd\n0.386193 0.386193 0.555595 Nd\n0.459382 0.459382 0.354612 O\n0.540618 0.540618 0.645388 O\n0.362688 0.362688 0.027809 S\n0.784215 0.784215 0.338027 S\n0.215785 0.215785 0.661973 S\n0.637312 0.637312 0.972191 S\n0.947136 0.947136 0.230355 Y\n0.052864 0.052864 0.769645 Y\n",
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{
"id": "oqmd-1558014",
"created_at": "2022-09-04T15:55:41.666700Z",
"updated_at": "2022-09-04T15:55:41.666738Z",
"structure_string": "Tb2 Nd2 Dy2 Se4 N2 O2\n1.0\n7.861544 -1.970104 0.000000\n7.861544 1.970104 0.000000\n-1.446633 0.000000 9.782198\nDy N Nd O Se Tb\n2 2 2 2 4 2\ndirect\n0.954366 0.954366 0.239694 Dy\n0.045634 0.045634 0.760306 Dy\n0.095847 0.095847 0.302433 N\n0.904153 0.904153 0.697567 N\n0.611209 0.611209 0.444858 Nd\n0.388791 0.388791 0.555142 Nd\n0.462929 0.462929 0.356589 O\n0.537071 0.537071 0.643411 O\n0.370713 0.370713 0.031483 Se\n0.786465 0.786465 0.341659 Se\n0.213535 0.213535 0.658341 Se\n0.629287 0.629287 0.968517 Se\n0.193726 0.193726 0.168172 Tb\n0.806274 0.806274 0.831828 Tb\n",
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},
{
"id": "oqmd-1558086",
"created_at": "2022-09-04T15:55:42.175087Z",
"updated_at": "2022-09-04T15:55:42.175106Z",
"structure_string": "Nd2 Gd2 Ho2 Se4 N2 O2\n1.0\n7.825825 -1.977268 0.000000\n7.825825 1.977268 0.000000\n-1.373941 0.000000 9.792936\nGd Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.952071 0.952071 0.246117 Gd\n0.047929 0.047929 0.753883 Gd\n0.605464 0.605464 0.445101 Ho\n0.394536 0.394536 0.554899 Ho\n0.094315 0.094315 0.318241 N\n0.905685 0.905685 0.681759 N\n0.194952 0.194952 0.174933 Nd\n0.805048 0.805048 0.825067 Nd\n0.462654 0.462654 0.365782 O\n0.537346 0.537346 0.634218 O\n0.374593 0.374593 0.033105 Se\n0.786721 0.786721 0.358070 Se\n0.213279 0.213279 0.641930 Se\n0.625407 0.625407 0.966895 Se\n",
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{
"id": "oqmd-1558346",
"created_at": "2022-09-04T15:55:41.859247Z",
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"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.625813 -1.913839 0.000000\n7.625813 1.913839 0.000000\n-1.673306 0.000000 9.445638\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.052645 0.052645 0.268963 Ho\n0.947355 0.947355 0.731037 Ho\n0.905410 0.905410 0.207737 N\n0.094590 0.094590 0.792263 N\n0.385815 0.385815 0.056275 Nd\n0.614185 0.614185 0.943725 Nd\n0.540763 0.540763 0.146253 O\n0.459237 0.459237 0.853747 O\n0.215818 0.215818 0.163880 S\n0.637510 0.637510 0.470616 S\n0.362490 0.362490 0.529384 S\n0.784182 0.784182 0.836120 S\n0.803670 0.803670 0.334558 Tm\n0.196330 0.196330 0.665442 Tm\n",
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],
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},
{
"id": "oqmd-1558733",
"created_at": "2022-09-04T15:55:41.805304Z",
"updated_at": "2022-09-04T15:55:41.805321Z",
"structure_string": "Nd2 Gd2 Ho2 S4 N2 O2\n1.0\n7.631592 -1.933554 0.000000\n7.631592 1.933554 0.000000\n-1.819225 0.000000 9.618708\nGd Ho N Nd O S\n2 2 2 2 2 4\ndirect\n0.610853 0.610853 0.446088 Gd\n0.389147 0.389147 0.553912 Gd\n0.945005 0.945005 0.244566 Ho\n0.054995 0.054995 0.755434 Ho\n0.091731 0.091731 0.307879 N\n0.908269 0.908269 0.692121 N\n0.192871 0.192871 0.166906 Nd\n0.807129 0.807129 0.833094 Nd\n0.458599 0.458599 0.362642 O\n0.541401 0.541401 0.637358 O\n0.369553 0.369553 0.040857 S\n0.784331 0.784331 0.350822 S\n0.215669 0.215669 0.649178 S\n0.630447 0.630447 0.959143 S\n",
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"formula_full": "Nd2 Gd2 Ho2 S4 N2 O2",
"formula_reduced": "NdGdHoS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1558174",
"created_at": "2022-09-04T15:55:41.937944Z",
"updated_at": "2022-09-04T15:55:41.937971Z",
"structure_string": "Tb2 Nd2 Sm2 Se4 N2 O2\n1.0\n7.901179 -1.990786 0.000000\n7.901179 1.990786 0.000000\n-1.563650 0.000000 9.922013\nN Nd O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.907412 0.907412 0.190203 N\n0.092588 0.092588 0.809797 N\n0.808390 0.808390 0.330362 Nd\n0.191610 0.191610 0.669638 Nd\n0.538673 0.538673 0.137680 O\n0.461327 0.461327 0.862320 O\n0.214686 0.214686 0.148681 Se\n0.627313 0.627313 0.461380 Se\n0.372687 0.372687 0.538620 Se\n0.785314 0.785314 0.851319 Se\n0.391819 0.391819 0.055037 Sm\n0.608181 0.608181 0.944963 Sm\n0.049596 0.049596 0.253045 Tb\n0.950404 0.950404 0.746955 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.8249263999155,
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"volume": 312.1377288826257,
"volume_molar": 13.426695284556352,
"formula_full": "Tb2 Nd2 Sm2 Se4 N2 O2",
"formula_reduced": "TbNdSmSe2NO",
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}
]
}