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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=3",
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"results": [
{
"id": "oqmd-1557738",
"created_at": "2022-09-04T15:55:38.175005Z",
"updated_at": "2022-09-04T15:55:38.175019Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.706814 -1.911863 0.000000\n7.706814 1.911863 0.000000\n-1.556692 0.000000 9.421802\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948135 0.948135 0.235070 Er\n0.051865 0.051865 0.764930 Er\n0.191644 0.191644 0.164067 Ho\n0.808356 0.808356 0.835933 Ho\n0.092266 0.092266 0.298316 N\n0.907734 0.907734 0.701684 N\n0.460242 0.460242 0.358674 O\n0.539758 0.539758 0.641326 O\n0.366087 0.366087 0.032864 S\n0.633913 0.633913 0.967136 S\n0.784776 0.784776 0.347468 Se\n0.215224 0.215224 0.652532 Se\n0.607517 0.607517 0.440317 Tb\n0.392483 0.392483 0.559683 Tb\n",
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{
"id": "oqmd-1558184",
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"updated_at": "2022-09-04T15:55:39.568666Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.856618 -1.943926 0.000000\n7.856618 1.943926 0.000000\n-1.658216 0.000000 9.632963\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051904 0.051904 0.265554 Dy\n0.948096 0.948096 0.734446 Dy\n0.908385 0.908385 0.206623 N\n0.091615 0.091615 0.793377 N\n0.390259 0.390259 0.058695 Nd\n0.609741 0.609741 0.941305 Nd\n0.539865 0.539865 0.144388 O\n0.460135 0.460135 0.855612 O\n0.634512 0.634512 0.465709 S\n0.365488 0.365488 0.534291 S\n0.216047 0.216047 0.159097 Se\n0.783953 0.783953 0.840903 Se\n0.810319 0.810319 0.339561 Tb\n0.189681 0.189681 0.660439 Tb\n",
"nsites": 14,
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"elements": [
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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",
"nsites": 14,
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"elements": [
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"density": 6.687405047872637,
"density_atomic": 0.0503679652710344,
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"formula_full": "Dy2 Y2 Er2 Se2 S2 N2 O2",
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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",
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},
{
"id": "oqmd-1557404",
"created_at": "2022-09-04T15:55:47.967471Z",
"updated_at": "2022-09-04T15:55:47.967500Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.566299 -1.934456 0.000000\n7.566299 1.934456 0.000000\n-1.411937 0.000000 9.507681\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.799346 0.799346 0.319950 Er\n0.200654 0.200654 0.680050 Er\n0.901388 0.901388 0.188607 N\n0.098612 0.098612 0.811393 N\n0.538235 0.538235 0.139332 O\n0.461765 0.461765 0.860668 O\n0.213919 0.213919 0.153321 S\n0.786081 0.786081 0.846679 S\n0.630726 0.630726 0.476211 Se\n0.369274 0.369274 0.523789 Se\n0.387862 0.387862 0.052987 Tb\n0.612138 0.612138 0.947013 Tb\n0.047974 0.047974 0.261302 Y\n0.952026 0.952026 0.738698 Y\n",
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"elements": [
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"density_atomic": 0.05030151698818308,
"volume": 278.32162603145554,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557402",
"created_at": "2022-09-04T15:55:47.968033Z",
"updated_at": "2022-09-04T15:55:47.968048Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.525720 -1.923694 0.000000\n7.525720 1.923694 0.000000\n-1.341619 0.000000 9.449924\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.047196 0.047196 0.259593 Dy\n0.952804 0.952804 0.740407 Dy\n0.389031 0.389031 0.052669 Er\n0.610969 0.610969 0.947331 Er\n0.798575 0.798575 0.318091 Ho\n0.201425 0.201425 0.681909 Ho\n0.901274 0.901274 0.183637 N\n0.098726 0.098726 0.816363 N\n0.538008 0.538008 0.137759 O\n0.461992 0.461992 0.862241 O\n0.213242 0.213242 0.149629 S\n0.786758 0.786758 0.850371 S\n0.628895 0.628895 0.477059 Se\n0.371105 0.371105 0.522941 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.716189714228434,
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"volume": 273.6165470112257,
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557696",
"created_at": "2022-09-04T15:55:37.871019Z",
"updated_at": "2022-09-04T15:55:37.871044Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.556201 -1.935614 0.000000\n7.556201 1.935614 0.000000\n-1.481505 0.000000 9.559146\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.050045 0.050045 0.255306 Dy\n0.949955 0.949955 0.744694 Dy\n0.389616 0.389616 0.052523 Er\n0.610384 0.610384 0.947477 Er\n0.800950 0.800950 0.319114 Gd\n0.199050 0.199050 0.680886 Gd\n0.903473 0.903473 0.182703 N\n0.096527 0.096527 0.817297 N\n0.539441 0.539441 0.135706 O\n0.460559 0.460559 0.864294 O\n0.214365 0.214365 0.145813 S\n0.785635 0.785635 0.854187 S\n0.628117 0.628117 0.471979 Se\n0.371883 0.371883 0.528021 Se\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557700",
"created_at": "2022-09-04T15:55:39.848869Z",
"updated_at": "2022-09-04T15:55:39.848903Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.717689 -1.926707 0.000000\n7.717689 1.926707 0.000000\n-1.498058 0.000000 9.458199\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.394461 0.394461 0.058921 Er\n0.605539 0.605539 0.941079 Er\n0.806806 0.806806 0.332902 Gd\n0.193194 0.193194 0.667098 Gd\n0.906864 0.906864 0.194463 N\n0.093136 0.093136 0.805537 N\n0.538977 0.538977 0.137431 O\n0.461023 0.461023 0.862569 O\n0.632429 0.632429 0.467314 S\n0.367571 0.367571 0.532686 S\n0.214631 0.214631 0.146036 Se\n0.785369 0.785369 0.853964 Se\n0.051712 0.051712 0.263625 Y\n0.948288 0.948288 0.736375 Y\n",
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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{
"id": "oqmd-39283",
"created_at": "2022-09-04T15:52:07.032045Z",
"updated_at": "2022-09-04T15:52:07.032065Z",
"structure_string": "Na4 Ca6 B10 H4 S4 Cl2 O36\n1.0\n6.326709 0.000000 0.000000\n1.622601 6.115125 0.000000\n0.687842 0.531501 18.427258\nB Ca Cl H Na O S\n10 6 2 4 4 36 4\ndirect\n0.179652 0.149260 0.180070 B\n0.029897 0.487272 0.250576 B\n0.195512 0.803367 0.250674 B\n0.511660 0.968867 0.250750 B\n0.849703 0.819228 0.321259 B\n0.149554 0.180042 0.680407 B\n0.487569 0.030382 0.750915 B\n0.803707 0.195906 0.750985 B\n0.969303 0.512006 0.751067 B\n0.819592 0.849997 0.821586 B\n0.169135 0.647488 0.097493 Ca\n0.608673 0.390130 0.250750 Ca\n0.351469 0.829697 0.403979 Ca\n0.647770 0.169529 0.597694 Ca\n0.390555 0.609105 0.750932 Ca\n0.830153 0.351823 0.904190 Ca\n0.999727 0.999623 0.000798 Cl\n0.999648 0.999632 0.500852 Cl\n0.105625 0.198477 0.071483 H\n0.800654 0.893538 0.429829 H\n0.198653 0.105717 0.571845 H\n0.893718 0.800748 0.930163 H\n0.579201 0.115397 0.079138 Na\n0.883432 0.420050 0.422569 Na\n0.115812 0.579176 0.579159 Na\n0.420049 0.883861 0.922547 Na\n0.792403 0.491378 0.021399 O\n0.474882 0.791381 0.048799 O\n0.188084 0.251647 0.107820 O\n0.790516 0.720009 0.125009 O\n0.556815 0.467917 0.125659 O\n0.140619 0.933218 0.183719 O\n0.402186 0.140088 0.208063 O\n0.007554 0.294298 0.226025 O\n0.204093 0.572632 0.230596 O\n0.426287 0.794680 0.270751 O\n0.704689 0.991203 0.275261 O\n0.858805 0.596642 0.293326 O\n0.065724 0.858269 0.317626 O\n0.531207 0.442012 0.375901 O\n0.279386 0.208115 0.376699 O\n0.747385 0.811033 0.393550 O\n0.207564 0.524199 0.452708 O\n0.507708 0.207159 0.480372 O\n0.491633 0.792111 0.521307 O\n0.791732 0.475020 0.549024 O\n0.251921 0.188228 0.608123 O\n0.719880 0.791115 0.625018 O\n0.468047 0.557241 0.625791 O\n0.933528 0.140968 0.684033 O\n0.140416 0.402633 0.708327 O\n0.294539 0.008045 0.726400 O\n0.572932 0.204576 0.730918 O\n0.795107 0.426659 0.771053 O\n0.991657 0.704980 0.775617 O\n0.597036 0.859176 0.793610 O\n0.858634 0.066047 0.817939 O\n0.442416 0.531408 0.876027 O\n0.208766 0.279297 0.876611 O\n0.811181 0.747613 0.893836 O\n0.524348 0.207870 0.952864 O\n0.206771 0.507800 0.980257 O\n0.659091 0.617711 0.078865 S\n0.381460 0.339880 0.422776 S\n0.617897 0.659303 0.578957 S\n0.340121 0.381577 0.922805 S\n",
"nsites": 66,
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"elements": [
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],
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"density": 2.840945614098185,
"density_atomic": 0.09257634295338733,
"volume": 712.9251155798122,
"volume_molar": 6.505053632364997,
"formula_full": "Na4 Ca6 B10 H4 S4 Cl2 O36",
"formula_reduced": "Na2Ca3B5H2S2ClO18",
"formula_anonymous": "AB2C2D2E3F5G18",
"formation_energy": -2.5072025242586378,
"spacegroup": 15
},
{
"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_atomic": 0.04831821666578333,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557667",
"created_at": "2022-09-04T15:55:39.681259Z",
"updated_at": "2022-09-04T15:55:39.681286Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.795127 -1.950898 0.000000\n7.795127 1.950898 0.000000\n-1.560777 0.000000 9.625856\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.604415 0.604415 0.442470 Er\n0.395585 0.395585 0.557530 Er\n0.947397 0.947397 0.240510 Gd\n0.052603 0.052603 0.759490 Gd\n0.091812 0.091812 0.311069 N\n0.908188 0.908188 0.688931 N\n0.192235 0.192235 0.167877 Nd\n0.807765 0.807765 0.832123 Nd\n0.461067 0.461067 0.365134 O\n0.538933 0.538933 0.634866 O\n0.369865 0.369865 0.035849 S\n0.630135 0.630135 0.964151 S\n0.785247 0.785247 0.358143 Se\n0.214753 0.214753 0.641857 Se\n",
"nsites": 14,
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"elements": [
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],
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},
{
"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,
"nelements": 7,
"elements": [
"Dy",
"Er",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.52364277538568,
"density_atomic": 0.05036545488266339,
"volume": 277.96830253227847,
"volume_molar": 11.956887461911753,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.391319468795565,
"spacegroup": 12
}
]
}