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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=13",
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"results": [
{
"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",
"nsites": 14,
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"elements": [
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],
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"density": 6.63592806341258,
"density_atomic": 0.05030151698818308,
"volume": 278.32162603145554,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557504",
"created_at": "2022-09-04T15:55:48.312211Z",
"updated_at": "2022-09-04T15:55:48.312231Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.700512 -1.915251 0.000000\n7.700512 1.915251 0.000000\n-1.456100 0.000000 9.379484\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.806358 0.806358 0.332845 Er\n0.193642 0.193642 0.667155 Er\n0.393435 0.393435 0.059714 Ho\n0.606565 0.606565 0.940286 Ho\n0.905991 0.905991 0.198372 N\n0.094009 0.094009 0.801628 N\n0.538850 0.538850 0.139313 O\n0.461150 0.461150 0.860687 O\n0.635400 0.635400 0.471049 S\n0.364600 0.364600 0.528951 S\n0.215175 0.215175 0.150370 Se\n0.784825 0.784825 0.849630 Se\n0.051130 0.051130 0.267202 Y\n0.948870 0.948870 0.732798 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.747746095872265,
"density_atomic": 0.050602712040638646,
"volume": 276.6650133051507,
"volume_molar": 11.9008260963635,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.461907799081278,
"spacegroup": 12
},
{
"id": "oqmd-1558221",
"created_at": "2022-09-04T15:55:42.466619Z",
"updated_at": "2022-09-04T15:55:42.466632Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.850044 -1.942095 0.000000\n7.850044 1.942095 0.000000\n-1.576348 0.000000 9.588891\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808521 0.808521 0.338487 Ho\n0.191479 0.191479 0.661513 Ho\n0.906414 0.906414 0.206963 N\n0.093586 0.093586 0.793037 N\n0.389635 0.389635 0.058611 Nd\n0.610365 0.610365 0.941389 Nd\n0.538913 0.538913 0.145394 O\n0.461087 0.461087 0.854606 O\n0.635460 0.635460 0.469954 S\n0.364540 0.364540 0.530046 S\n0.215455 0.215455 0.160659 Se\n0.784545 0.784545 0.839341 Se\n0.050415 0.050415 0.268826 Tb\n0.949585 0.949585 0.731174 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.919062709248369,
"density_atomic": 0.04788363337974012,
"volume": 292.37547386960597,
"volume_molar": 12.576616131531921,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3237719683193734,
"spacegroup": 12
},
{
"id": "oqmd-1558442",
"created_at": "2022-09-04T15:55:42.894646Z",
"updated_at": "2022-09-04T15:55:42.894680Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.616069 -1.945741 0.000000\n7.616069 1.945741 0.000000\n-1.380072 0.000000 9.587254\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.798962 0.798962 0.320972 Dy\n0.201038 0.201038 0.679028 Dy\n0.387280 0.387280 0.052289 Gd\n0.612720 0.612720 0.947711 Gd\n0.900916 0.900916 0.187335 N\n0.099084 0.099084 0.812665 N\n0.537462 0.537462 0.139779 O\n0.462538 0.462538 0.860221 O\n0.213193 0.213193 0.153723 S\n0.786807 0.786807 0.846277 S\n0.629435 0.629435 0.475924 Se\n0.370565 0.370565 0.524076 Se\n0.046819 0.046819 0.260507 Tb\n0.953181 0.953181 0.739493 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.243108318954595,
"density_atomic": 0.04927060626240333,
"volume": 284.1450727323992,
"volume_molar": 12.222583030392473,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.38160747700985,
"spacegroup": 12
},
{
"id": "oqmd-1558513",
"created_at": "2022-09-04T15:55:43.353084Z",
"updated_at": "2022-09-04T15:55:43.353121Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.584903 -1.936479 0.000000\n7.584903 1.936479 0.000000\n-1.398294 0.000000 9.549480\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.953160 0.953160 0.239756 Dy\n0.046840 0.046840 0.760244 Dy\n0.612913 0.612913 0.447637 Gd\n0.387087 0.387087 0.552363 Gd\n0.200676 0.200676 0.178813 Ho\n0.799324 0.799324 0.821187 Ho\n0.098892 0.098892 0.311452 N\n0.901108 0.901108 0.688548 N\n0.462347 0.462347 0.359664 O\n0.537653 0.537653 0.640336 O\n0.786744 0.786744 0.345310 S\n0.213256 0.213256 0.654690 S\n0.370319 0.370319 0.024550 Se\n0.629681 0.629681 0.975450 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Gd",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Gd-Ho-N-O-S-Se",
"density": 7.407653039213728,
"density_atomic": 0.04990631387734969,
"volume": 280.5256271662651,
"volume_molar": 12.06689152558949,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.480242078247945,
"spacegroup": 12
},
{
"id": "oqmd-1558420",
"created_at": "2022-09-04T15:55:43.492130Z",
"updated_at": "2022-09-04T15:55:43.492156Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.760743 -1.935282 0.000000\n7.760743 1.935282 0.000000\n-1.426729 0.000000 9.491071\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393545 0.393545 0.059197 Dy\n0.606455 0.606455 0.940803 Dy\n0.050905 0.050905 0.266616 Gd\n0.949095 0.949095 0.733384 Gd\n0.905951 0.905951 0.196163 N\n0.094049 0.094049 0.803837 N\n0.538684 0.538684 0.139042 O\n0.461316 0.461316 0.860958 O\n0.633931 0.633931 0.471354 S\n0.366069 0.366069 0.528646 S\n0.214804 0.214804 0.148592 Se\n0.785196 0.785196 0.851408 Se\n0.805839 0.805839 0.332477 Tb\n0.194161 0.194161 0.667523 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.2189217202125375,
"density_atomic": 0.049106079055164405,
"volume": 285.0970851138978,
"volume_molar": 12.263534120154237,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.360581809866993,
"spacegroup": 12
},
{
"id": "oqmd-1558523",
"created_at": "2022-09-04T15:55:43.237475Z",
"updated_at": "2022-09-04T15:55:43.237496Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.594484 -1.941361 0.000000\n7.594484 1.941361 0.000000\n-1.432404 0.000000 9.596447\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799576 0.799576 0.321505 Gd\n0.200424 0.200424 0.678495 Gd\n0.047248 0.047248 0.256323 Ho\n0.952752 0.952752 0.743677 Ho\n0.902133 0.902133 0.185738 N\n0.097867 0.097867 0.814262 N\n0.537891 0.537891 0.139029 O\n0.462109 0.462109 0.860971 O\n0.212315 0.212315 0.150673 S\n0.787685 0.787685 0.849327 S\n0.627116 0.627116 0.471901 Se\n0.372884 0.372884 0.528099 Se\n0.387916 0.387916 0.051973 Tb\n0.612084 0.612084 0.948027 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
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],
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"density": 7.301631753038302,
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"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.382119925105088,
"spacegroup": 12
},
{
"id": "oqmd-1558381",
"created_at": "2022-09-04T15:55:43.277694Z",
"updated_at": "2022-09-04T15:55:43.277724Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.613291 -1.945609 0.000000\n7.613291 1.945609 0.000000\n-1.419473 0.000000 9.597246\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953034 0.953034 0.240942 Dy\n0.046966 0.046966 0.759058 Dy\n0.612511 0.612511 0.447936 Gd\n0.387489 0.387489 0.552064 Gd\n0.098435 0.098435 0.312580 N\n0.901565 0.901565 0.687420 N\n0.462413 0.462413 0.360042 O\n0.537587 0.537587 0.639958 O\n0.787219 0.787219 0.347083 S\n0.212781 0.212781 0.652917 S\n0.371612 0.371612 0.026076 Se\n0.628388 0.628388 0.973924 Se\n0.200724 0.200724 0.178319 Tb\n0.799276 0.799276 0.821681 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.238698536893156,
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"volume": 284.3181726119142,
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"formula_full": "Tb2 Gd2 Dy2 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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],
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"volume": 273.6165470112257,
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4915335614622305,
"spacegroup": 12
},
{
"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,
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"elements": [
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],
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"density": 7.3700314097070585,
"density_atomic": 0.04975192238281646,
"volume": 281.3961617860093,
"volume_molar": 12.10433782570772,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.383117968914612,
"spacegroup": 12
},
{
"id": "oqmd-1558152",
"created_at": "2022-09-04T15:55:42.516008Z",
"updated_at": "2022-09-04T15:55:42.516029Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.785353 -1.940170 0.000000\n7.785353 1.940170 0.000000\n-1.739790 0.000000 9.665209\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.604912 0.604912 0.441530 Dy\n0.395088 0.395088 0.558470 Dy\n0.944689 0.944689 0.244993 Ho\n0.055311 0.055311 0.755007 Ho\n0.088372 0.088372 0.306695 N\n0.911628 0.911628 0.693305 N\n0.187349 0.187349 0.163831 Nd\n0.812651 0.812651 0.836169 Nd\n0.458788 0.458788 0.364410 O\n0.541212 0.541212 0.635590 O\n0.369578 0.369578 0.042975 S\n0.630422 0.630422 0.957025 S\n0.783387 0.783387 0.355347 Se\n0.216613 0.216613 0.644653 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"S",
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],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.968993483042473,
"density_atomic": 0.04794780125013084,
"volume": 291.98419187077525,
"volume_molar": 12.559785022433259,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.426050112890802,
"spacegroup": 12
},
{
"id": "oqmd-1557286",
"created_at": "2022-09-04T15:55:48.015441Z",
"updated_at": "2022-09-04T15:55:48.015459Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.575234 -1.931616 0.000000\n7.575234 1.931616 0.000000\n-1.520485 0.000000 9.553725\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.950348 0.950348 0.244263 Ho\n0.049652 0.049652 0.755737 Ho\n0.096637 0.096637 0.312736 N\n0.903363 0.903363 0.687264 N\n0.460286 0.460286 0.361471 O\n0.539714 0.539714 0.638529 O\n0.785701 0.785701 0.350636 S\n0.214299 0.214299 0.649364 S\n0.371002 0.371002 0.028894 Se\n0.628998 0.628998 0.971106 Se\n0.198696 0.198696 0.178820 Tb\n0.801304 0.801304 0.821180 Tb\n0.611871 0.611871 0.446845 Y\n0.388129 0.388129 0.553155 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Se",
"Tb",
"Y"
],
"chemical_system": "Ho-N-O-S-Se-Tb-Y",
"density": 6.578194016114584,
"density_atomic": 0.050073558632336486,
"volume": 279.58867678637654,
"volume_molar": 12.026588332212173,
"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.378157229033659,
"spacegroup": 12
}
]
}