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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-elements&page=19",
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"results": [
{
"id": "oqmd-1557629",
"created_at": "2022-09-04T15:55:48.155307Z",
"updated_at": "2022-09-04T15:55:48.155333Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.575171 -1.935080 0.000000\n7.575171 1.935080 0.000000\n-1.590157 0.000000 9.598355\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050847 0.050847 0.254293 Er\n0.949153 0.949153 0.745707 Er\n0.802169 0.802169 0.322301 Gd\n0.197831 0.197831 0.677699 Gd\n0.904868 0.904868 0.188528 N\n0.095132 0.095132 0.811472 N\n0.539992 0.539992 0.137729 O\n0.460008 0.460008 0.862271 O\n0.214125 0.214125 0.148721 S\n0.785875 0.785875 0.851279 S\n0.628625 0.628625 0.467965 Se\n0.371375 0.371375 0.532035 Se\n0.388540 0.388540 0.053341 Tb\n0.611460 0.611460 0.946659 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557599",
"created_at": "2022-09-04T15:55:47.863897Z",
"updated_at": "2022-09-04T15:55:47.863921Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.574276 -1.940903 0.000000\n7.574276 1.940903 0.000000\n-1.265907 0.000000 9.507167\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202911 0.202911 0.181645 Er\n0.797089 0.797089 0.818355 Er\n0.954427 0.954427 0.235799 Gd\n0.045573 0.045573 0.764201 Gd\n0.100820 0.100820 0.313997 N\n0.899180 0.899180 0.686003 N\n0.463195 0.463195 0.359778 O\n0.536805 0.536805 0.640222 O\n0.787279 0.787279 0.346769 S\n0.212721 0.212721 0.653231 S\n0.369115 0.369115 0.019371 Se\n0.630885 0.630885 0.980629 Se\n0.612510 0.612510 0.447997 Tb\n0.387490 0.387490 0.552003 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density_atomic": 0.05008434052408921,
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557472",
"created_at": "2022-09-04T15:55:48.202990Z",
"updated_at": "2022-09-04T15:55:48.203013Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.743075 -1.927372 0.000000\n7.743075 1.927372 0.000000\n-1.440453 0.000000 9.430601\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.194286 0.194286 0.166822 Er\n0.805714 0.805714 0.833178 Er\n0.949196 0.949196 0.229994 Gd\n0.050804 0.050804 0.770006 Gd\n0.094651 0.094651 0.300289 N\n0.905349 0.905349 0.699711 N\n0.461409 0.461409 0.359126 O\n0.538591 0.538591 0.640874 O\n0.363679 0.363679 0.026667 S\n0.636321 0.636321 0.973333 S\n0.784876 0.784876 0.347761 Se\n0.215124 0.215124 0.652239 Se\n0.607545 0.607545 0.440784 Tb\n0.392455 0.392455 0.559216 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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],
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"density": 7.367822090702929,
"density_atomic": 0.0497370082173941,
"volume": 281.4805413869646,
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"formula_full": "Tb2 Gd2 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,
"nelements": 7,
"elements": [
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557592",
"created_at": "2022-09-04T15:55:48.523128Z",
"updated_at": "2022-09-04T15:55:48.523157Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.734810 -1.920391 0.000000\n7.734810 1.920391 0.000000\n-1.600731 0.000000 9.502446\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.052279 0.052279 0.262936 Er\n0.947721 0.947721 0.737064 Er\n0.392109 0.392109 0.059450 Gd\n0.607891 0.607891 0.940550 Gd\n0.908308 0.908308 0.201654 N\n0.091692 0.091692 0.798346 N\n0.540361 0.540361 0.140897 O\n0.459639 0.459639 0.859103 O\n0.632458 0.632458 0.464419 S\n0.367542 0.367542 0.535581 S\n0.215366 0.215366 0.152713 Se\n0.784634 0.784634 0.847287 Se\n0.809222 0.809222 0.337650 Tb\n0.190778 0.190778 0.662350 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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],
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"density": 7.346539029618969,
"density_atomic": 0.049593335396444754,
"volume": 282.2959957842164,
"volume_molar": 12.143044447120843,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3619506739146123,
"spacegroup": 12
},
{
"id": "oqmd-1557479",
"created_at": "2022-09-04T15:55:48.556919Z",
"updated_at": "2022-09-04T15:55:48.556939Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.582174 -1.939691 0.000000\n7.582174 1.939691 0.000000\n-1.391292 0.000000 9.554292\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799417 0.799417 0.319561 Er\n0.200583 0.200583 0.680439 Er\n0.387634 0.387634 0.052958 Gd\n0.612366 0.612366 0.947042 Gd\n0.901400 0.901400 0.189111 N\n0.098600 0.098600 0.810889 N\n0.538098 0.538098 0.139654 O\n0.461902 0.461902 0.860346 O\n0.214129 0.214129 0.154344 S\n0.785871 0.785871 0.845656 S\n0.631734 0.631734 0.477045 Se\n0.368266 0.368266 0.522955 Se\n0.047793 0.047793 0.261755 Tb\n0.952207 0.952207 0.738245 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
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],
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"density": 7.379598008741811,
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.384707113914612,
"spacegroup": 12
},
{
"id": "oqmd-1557785",
"created_at": "2022-09-04T15:55:40.167095Z",
"updated_at": "2022-09-04T15:55:40.167117Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.727247 -1.926905 0.000000\n7.727247 1.926905 0.000000\n-1.465541 0.000000 9.466149\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605633 0.605633 0.441260 Er\n0.394367 0.394367 0.558740 Er\n0.193346 0.193346 0.167793 Gd\n0.806654 0.806654 0.832207 Gd\n0.093353 0.093353 0.306382 N\n0.906647 0.906647 0.693618 N\n0.461047 0.461047 0.362340 O\n0.538953 0.538953 0.637660 O\n0.367290 0.367290 0.031355 S\n0.632710 0.632710 0.968645 S\n0.785286 0.785286 0.354052 Se\n0.214714 0.214714 0.645948 Se\n0.948436 0.948436 0.236055 Tb\n0.051564 0.051564 0.763945 Tb\n",
"nsites": 14,
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"elements": [
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"O",
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],
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},
{
"id": "oqmd-1557759",
"created_at": "2022-09-04T15:55:40.285607Z",
"updated_at": "2022-09-04T15:55:40.285637Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.566283 -1.943002 0.000000\n7.566283 1.943002 0.000000\n-1.283749 0.000000 9.516799\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389369 0.389369 0.052007 Er\n0.610631 0.610631 0.947993 Er\n0.046884 0.046884 0.260710 Gd\n0.953116 0.953116 0.739290 Gd\n0.900625 0.900625 0.180930 N\n0.099375 0.099375 0.819070 N\n0.537557 0.537557 0.137106 O\n0.462443 0.462443 0.862894 O\n0.212737 0.212737 0.147372 S\n0.787263 0.787263 0.852628 S\n0.628384 0.628384 0.478768 Se\n0.371616 0.371616 0.521232 Se\n0.797343 0.797343 0.316985 Tb\n0.202657 0.202657 0.683015 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.411579764376672,
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557621",
"created_at": "2022-09-04T15:55:48.043582Z",
"updated_at": "2022-09-04T15:55:48.043609Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.581472 -1.934795 0.000000\n7.581472 1.934795 0.000000\n-1.576752 0.000000 9.588705\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.050269 0.050269 0.255766 Er\n0.949731 0.949731 0.744234 Er\n0.387646 0.387646 0.053028 Gd\n0.612354 0.612354 0.946972 Gd\n0.904259 0.904259 0.190096 N\n0.095741 0.095741 0.809904 N\n0.539716 0.539716 0.139262 O\n0.460284 0.460284 0.860738 O\n0.214381 0.214381 0.151756 S\n0.785619 0.785619 0.848244 S\n0.628852 0.628852 0.469112 Se\n0.371148 0.371148 0.530888 Se\n0.802359 0.802359 0.323222 Tb\n0.197641 0.197641 0.676778 Tb\n",
"nsites": 14,
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"elements": [
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"spacegroup": 12
},
{
"id": "oqmd-1557764",
"created_at": "2022-09-04T15:55:41.285348Z",
"updated_at": "2022-09-04T15:55:41.285359Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.569462 -1.942343 0.000000\n7.569462 1.942343 0.000000\n-1.398045 0.000000 9.551961\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389920 0.389920 0.052699 Er\n0.610080 0.610080 0.947301 Er\n0.799524 0.799524 0.318441 Gd\n0.200476 0.200476 0.681559 Gd\n0.902533 0.902533 0.182071 N\n0.097467 0.097467 0.817929 N\n0.538380 0.538380 0.136145 O\n0.461620 0.461620 0.863855 O\n0.213630 0.213630 0.146228 S\n0.786370 0.786370 0.853772 S\n0.628223 0.628223 0.474283 Se\n0.371777 0.371777 0.525717 Se\n0.049030 0.049030 0.257436 Tb\n0.950970 0.950970 0.742564 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
"S",
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],
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"density": 7.383699847923878,
"density_atomic": 0.049844192149314584,
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"volume_molar": 12.08193071313086,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.382909760343183,
"spacegroup": 12
},
{
"id": "oqmd-1557446",
"created_at": "2022-09-04T15:55:49.152727Z",
"updated_at": "2022-09-04T15:55:49.152752Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.730900 -1.921402 0.000000\n7.730900 1.921402 0.000000\n-1.615055 0.000000 9.502229\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.052708 0.052708 0.261563 Er\n0.947292 0.947292 0.738437 Er\n0.809620 0.809620 0.337057 Gd\n0.190380 0.190380 0.662943 Gd\n0.908791 0.908791 0.199528 N\n0.091209 0.091209 0.800472 N\n0.540078 0.540078 0.139666 O\n0.459922 0.459922 0.860334 O\n0.631530 0.631530 0.463434 S\n0.368470 0.368470 0.536566 S\n0.215399 0.215399 0.150531 Se\n0.784601 0.784601 0.849469 Se\n0.392889 0.392889 0.059148 Tb\n0.607111 0.607111 0.940852 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.34655485746036,
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"volume": 282.2953875894458,
"volume_molar": 12.143018285445713,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3625664939146125,
"spacegroup": 12
},
{
"id": "oqmd-1557456",
"created_at": "2022-09-04T15:55:49.263634Z",
"updated_at": "2022-09-04T15:55:49.263660Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.749626 -1.925474 0.000000\n7.749626 1.925474 0.000000\n-1.484557 0.000000 9.438819\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806579 0.806579 0.334442 Er\n0.193421 0.193421 0.665558 Er\n0.391899 0.391899 0.059098 Gd\n0.608101 0.608101 0.940902 Gd\n0.906082 0.906082 0.201883 N\n0.093918 0.093918 0.798117 N\n0.538731 0.538731 0.142125 O\n0.461269 0.461269 0.857875 O\n0.636135 0.636135 0.471937 S\n0.363865 0.363865 0.528063 S\n0.215178 0.215178 0.153513 Se\n0.784822 0.784822 0.846487 Se\n0.050971 0.050971 0.269255 Tb\n0.949029 0.949029 0.730745 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 12.116827437123387,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3627760789146115,
"spacegroup": 12
}
]
}