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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=32",
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"results": [
{
"id": "oqmd-111376",
"created_at": "2022-09-04T15:33:34.279990Z",
"updated_at": "2022-09-04T15:33:34.280017Z",
"structure_string": "Cd2 Re4 H16 C4 S4 N8 O16\n1.0\n8.572538 -0.039447 -0.146038\n3.448779 8.225848 -0.116134\n3.628863 0.775849 8.998479\nC Cd H N O Re S\n4 2 16 8 16 4 4\ndirect\n0.996675 0.991220 0.228986 C\n0.876098 0.468637 0.412161 C\n0.123901 0.531363 0.587839 C\n0.003326 0.008780 0.771015 C\n0.598094 0.289564 0.427939 Cd\n0.401907 0.710438 0.572059 Cd\n0.092976 0.100926 0.028555 H\n0.233356 0.840699 0.107121 H\n0.888878 0.221154 0.142821 H\n0.981925 0.626102 0.261311 H\n0.118691 0.350150 0.274296 H\n0.152390 0.765118 0.285660 H\n0.773806 0.716461 0.387501 H\n0.010846 0.223668 0.405131 H\n0.989153 0.776332 0.594870 H\n0.226192 0.283539 0.612499 H\n0.847609 0.234882 0.714341 H\n0.881306 0.649849 0.725704 H\n0.018074 0.373897 0.738690 H\n0.111122 0.778848 0.857178 H\n0.766644 0.159299 0.892880 H\n0.907024 0.899074 0.971446 H\n0.988885 0.111616 0.123998 N\n0.126667 0.847971 0.200141 N\n0.882045 0.615513 0.355707 N\n0.009827 0.337092 0.357928 N\n0.990171 0.662908 0.642073 N\n0.117953 0.384487 0.644293 N\n0.873331 0.152030 0.799860 N\n0.011115 0.888385 0.876001 N\n0.845213 0.663125 0.060434 O\n0.491115 0.707062 0.079499 O\n0.691240 0.029896 0.101626 O\n0.218229 0.500457 0.126346 O\n0.323788 0.078118 0.168824 O\n0.703402 0.403441 0.187789 O\n0.528813 0.837489 0.342464 O\n0.429853 0.186067 0.358859 O\n0.570149 0.813932 0.641141 O\n0.471189 0.162511 0.657536 O\n0.296599 0.596559 0.812210 O\n0.676214 0.921879 0.831177 O\n0.781767 0.499544 0.873652 O\n0.308762 0.970103 0.898373 O\n0.508884 0.292938 0.920502 O\n0.154786 0.336877 0.939564 O\n0.705785 0.569061 0.049949 Re\n0.495964 0.030824 0.242094 Re\n0.504038 0.969175 0.757905 Re\n0.294214 0.430939 0.950050 Re\n0.843002 0.007929 0.402460 S\n0.301555 0.555841 0.438131 S\n0.698445 0.444159 0.561870 S\n0.156999 0.992071 0.597540 S\n",
"nsites": 54,
"nelements": 7,
"elements": [
"C",
"Cd",
"H",
"N",
"O",
"Re",
"S"
],
"chemical_system": "C-Cd-H-N-O-Re-S",
"density": 3.9668117129394154,
"density_atomic": 0.0843062297263232,
"volume": 640.5220607693645,
"volume_molar": 7.14317409229331,
"formula_full": "Cd2 Re4 H16 C4 S4 N8 O16",
"formula_reduced": "CdRe2H8C2S2(NO2)4",
"formula_anonymous": "AB2C2D2E4F8G8",
"formation_energy": -0.948781290700153,
"spacegroup": 2
},
{
"id": "oqmd-1557165",
"created_at": "2022-09-04T15:55:45.430978Z",
"updated_at": "2022-09-04T15:55:45.430998Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.584467 -1.939083 0.000000\n7.584467 1.939083 0.000000\n-1.429765 0.000000 9.534690\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.612534 0.612534 0.447854 Gd\n0.387466 0.387466 0.552146 Gd\n0.200373 0.200373 0.179450 Ho\n0.799627 0.799627 0.820550 Ho\n0.098634 0.098634 0.311613 N\n0.901366 0.901366 0.688387 N\n0.462269 0.462269 0.359655 O\n0.537731 0.537731 0.640345 O\n0.786447 0.786447 0.345442 S\n0.213553 0.213553 0.654558 S\n0.370444 0.370444 0.024004 Se\n0.629556 0.629556 0.975996 Se\n0.952541 0.952541 0.238779 Y\n0.047459 0.047459 0.761221 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Y",
"density": 6.538112467192657,
"density_atomic": 0.04991947366005446,
"volume": 280.4516749382875,
"volume_molar": 12.063710448972367,
"formula_full": "Gd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4708465322955635,
"spacegroup": 12
},
{
"id": "oqmd-1557913",
"created_at": "2022-09-04T15:55:40.493809Z",
"updated_at": "2022-09-04T15:55:40.493834Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.557726 -1.933777 0.000000\n7.557726 1.933777 0.000000\n-1.453855 0.000000 9.534518\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.950828 0.950828 0.242897 Dy\n0.049172 0.049172 0.757103 Dy\n0.610816 0.610816 0.447149 Ho\n0.389184 0.389184 0.552851 Ho\n0.097234 0.097234 0.315611 N\n0.902766 0.902766 0.684389 N\n0.461281 0.461281 0.362691 O\n0.538719 0.538719 0.637309 O\n0.786012 0.786012 0.351734 S\n0.213988 0.213988 0.648266 S\n0.371312 0.371312 0.026580 Se\n0.628688 0.628688 0.973420 Se\n0.199613 0.199613 0.180760 Tb\n0.800387 0.800387 0.819240 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"density": 7.476325091227376,
"density_atomic": 0.050234462957698615,
"volume": 278.6931356624456,
"volume_molar": 11.988066370035881,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.389907679271755,
"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,
"nelements": 7,
"elements": [
"Er",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Er-Gd-N-O-S-Se-Tb",
"density": 7.35697157573929,
"density_atomic": 0.04966376104268416,
"volume": 281.895686232211,
"volume_molar": 12.125825015194064,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3629530917717543,
"spacegroup": 12
},
{
"id": "oqmd-39694",
"created_at": "2022-09-04T15:33:14.774302Z",
"updated_at": "2022-09-04T15:33:14.774330Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n0.000000 0.000000 -7.132008\n-7.929064 4.577847 2.377336\n7.929064 4.577847 2.377336\nAl B F Fe Na O Si\n6 3 1 3 1 30 6\ndirect\n0.654757 0.556613 0.218587 Al\n0.436169 0.781413 0.338026 Al\n0.098144 0.661974 0.443387 Al\n0.654757 0.218587 0.556613 Al\n0.098144 0.443387 0.661974 Al\n0.436169 0.338026 0.781413 Al\n0.441402 0.668732 0.000000 B\n0.772670 0.331268 0.331268 B\n0.441402 0.000000 0.668732 B\n0.223844 0.000000 0.000000 F\n0.454378 0.204168 0.000000 Fe\n0.454378 0.000000 0.204168 Fe\n0.250210 0.795833 0.795833 Fe\n0.786063 0.000000 0.000000 Na\n0.001356 0.269629 0.000000 O\n0.614200 0.398321 0.000000 O\n0.822118 0.715133 0.000000 O\n0.463219 0.818940 0.000000 O\n0.501565 0.669309 0.149515 O\n0.644280 0.181060 0.181060 O\n0.413434 0.379898 0.183992 O\n0.229442 0.816008 0.195906 O\n0.001356 0.000000 0.269629 O\n0.208577 0.574060 0.282530 O\n0.106985 0.284866 0.284866 O\n0.926048 0.717470 0.291530 O\n0.832257 0.480205 0.330691 O\n0.413434 0.183992 0.379898 O\n0.614200 0.000000 0.398321 O\n0.634518 0.708471 0.425940 O\n0.832257 0.330691 0.480205 O\n0.352052 0.850485 0.519794 O\n0.208577 0.282530 0.574060 O\n0.215880 0.601679 0.601679 O\n0.033536 0.804094 0.620101 O\n0.501565 0.149515 0.669309 O\n0.634518 0.425940 0.708471 O\n0.822118 0.000000 0.715133 O\n0.926048 0.291530 0.717470 O\n0.731728 0.730372 0.730372 O\n0.033536 0.620101 0.804094 O\n0.229442 0.195906 0.816008 O\n0.463219 0.000000 0.818940 O\n0.352052 0.519794 0.850485 O\n0.189062 0.382635 0.190091 Si\n0.998972 0.809910 0.192544 Si\n0.189062 0.190091 0.382635 Si\n0.806428 0.807457 0.617366 Si\n0.806428 0.617366 0.807457 Si\n0.998972 0.192544 0.809910 Si\n",
"nsites": 50,
"nelements": 7,
"elements": [
"Al",
"B",
"F",
"Fe",
"Na",
"O",
"Si"
],
"chemical_system": "Al-B-F-Fe-Na-O-Si",
"density": 3.3750509115871306,
"density_atomic": 0.09657061341542286,
"volume": 517.7558496487164,
"volume_molar": 6.235997211795934,
"formula_full": "Na1 Al6 Fe3 Si6 B3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3O30F",
"formula_anonymous": "ABC3D3E6F6G30",
"formation_energy": -2.86746996903176,
"spacegroup": 160
},
{
"id": "oqmd-1557680",
"created_at": "2022-09-04T15:55:39.500604Z",
"updated_at": "2022-09-04T15:55:39.500631Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716663 -1.915558 0.000000\n7.716663 1.915558 0.000000\n-1.580946 0.000000 9.465865\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.947538 0.947538 0.236805 Er\n0.052462 0.052462 0.763195 Er\n0.091558 0.091558 0.299062 N\n0.908442 0.908442 0.700938 N\n0.459815 0.459815 0.359736 O\n0.540185 0.540185 0.640264 O\n0.366607 0.366607 0.035143 S\n0.633393 0.633393 0.964857 S\n0.784505 0.784505 0.347994 Se\n0.215495 0.215495 0.652006 Se\n0.607293 0.607293 0.440100 Tb\n0.392707 0.392707 0.559900 Tb\n0.191208 0.191208 0.163442 Y\n0.808792 0.808792 0.836558 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "Er-N-O-S-Se-Tb-Y",
"density": 6.599841106528378,
"density_atomic": 0.0500279714256911,
"volume": 279.84344759600856,
"volume_molar": 12.037547372763193,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.367828702128899,
"spacegroup": 12
},
{
"id": "oqmd-689057",
"created_at": "2022-09-04T15:52:20.944951Z",
"updated_at": "2022-09-04T15:52:20.944979Z",
"structure_string": "Cu6 As8 H36 C16 Br6 N4 O8\n1.0\n5.972662 -8.905158 0.000000\n5.972662 8.905158 0.000000\n-2.815835 0.000000 10.490093\nAs Br C Cu H N O\n8 6 16 6 36 4 8\ndirect\n0.516228 0.820332 0.026861 As\n0.750439 0.119755 0.060794 As\n0.880245 0.249561 0.439206 As\n0.179668 0.483772 0.473139 As\n0.820332 0.516228 0.526861 As\n0.119755 0.750439 0.560794 As\n0.249561 0.880245 0.939206 As\n0.483772 0.179668 0.973139 As\n0.116128 0.202229 0.201207 Br\n0.395921 0.604079 0.250000 Br\n0.797771 0.883872 0.298793 Br\n0.202229 0.116128 0.701207 Br\n0.604079 0.395921 0.750000 Br\n0.883872 0.797771 0.798793 Br\n0.447053 0.323738 0.071041 C\n0.168922 0.816576 0.079889 C\n0.818109 0.573820 0.102083 C\n0.924349 0.527486 0.139235 C\n0.472514 0.075651 0.360765 C\n0.426180 0.181891 0.397917 C\n0.183424 0.831078 0.420111 C\n0.676262 0.552947 0.428959 C\n0.323738 0.447053 0.571041 C\n0.816576 0.168922 0.579889 C\n0.573820 0.818109 0.602083 C\n0.527486 0.924349 0.639235 C\n0.075651 0.472514 0.860765 C\n0.181891 0.426180 0.897917 C\n0.831078 0.183424 0.920111 C\n0.552947 0.676262 0.928959 C\n0.551176 0.844904 0.249620 Cu\n0.886320 0.113680 0.250000 Cu\n0.155096 0.448824 0.250380 Cu\n0.844904 0.551176 0.749620 Cu\n0.113680 0.886320 0.750000 Cu\n0.448824 0.155096 0.750380 Cu\n0.829938 0.610437 0.012964 H\n0.497109 0.421204 0.042089 H\n0.334917 0.291602 0.051060 H\n0.122035 0.703732 0.056650 H\n0.717427 0.486125 0.084998 H\n0.091171 0.858066 0.091274 H\n0.252366 0.855452 0.165124 H\n0.485704 0.334321 0.172541 H\n0.824000 0.658386 0.177048 H\n0.341614 0.176000 0.322952 H\n0.665679 0.514296 0.327459 H\n0.144548 0.747634 0.334876 H\n0.141934 0.908829 0.408726 H\n0.513875 0.282573 0.415002 H\n0.296268 0.877965 0.443350 H\n0.708398 0.665083 0.448940 H\n0.578796 0.502891 0.457911 H\n0.389563 0.170062 0.487036 H\n0.610437 0.829938 0.512964 H\n0.421204 0.497109 0.542089 H\n0.291602 0.334917 0.551060 H\n0.703732 0.122035 0.556650 H\n0.486125 0.717427 0.584998 H\n0.858066 0.091171 0.591274 H\n0.855452 0.252366 0.665124 H\n0.334321 0.485704 0.672541 H\n0.658386 0.824000 0.677048 H\n0.176000 0.341614 0.822952 H\n0.514296 0.665679 0.827459 H\n0.747634 0.144548 0.834876 H\n0.908829 0.141934 0.908726 H\n0.282573 0.513875 0.915002 H\n0.877965 0.296268 0.943350 H\n0.665083 0.708398 0.948940 H\n0.502891 0.578796 0.957911 H\n0.170062 0.389563 0.987036 H\n0.011312 0.489966 0.166389 N\n0.510034 0.988688 0.333611 N\n0.489966 0.011312 0.666389 N\n0.988688 0.510034 0.833611 N\n0.376325 0.041194 0.042231 O\n0.647919 0.220674 0.081317 O\n0.779326 0.352081 0.418683 O\n0.958806 0.623675 0.457769 O\n0.041194 0.376325 0.542231 O\n0.220674 0.647919 0.581317 O\n0.352081 0.779326 0.918683 O\n0.623675 0.958806 0.957769 O\n",
"nsites": 84,
"nelements": 7,
"elements": [
"As",
"Br",
"C",
"Cu",
"H",
"N",
"O"
],
"chemical_system": "As-Br-C-Cu-H-N-O",
"density": 2.7865320682061108,
"density_atomic": 0.07527666746114647,
"volume": 1115.883617501479,
"volume_molar": 8.000009781395127,
"formula_full": "Cu6 As8 H36 C16 Br6 N4 O8",
"formula_reduced": "Cu3As4H18C8Br3(NO2)2",
"formula_anonymous": "A2B3C3D4E4F8G18",
"formation_energy": -0.3918404906148971,
"spacegroup": 15
},
{
"id": "oqmd-1558529",
"created_at": "2022-09-04T15:55:43.409232Z",
"updated_at": "2022-09-04T15:55:43.409260Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.755761 -1.924840 0.000000\n7.755761 1.924840 0.000000\n-1.504474 0.000000 9.480698\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948735 0.948735 0.233841 Dy\n0.051265 0.051265 0.766159 Dy\n0.607963 0.607963 0.440113 Gd\n0.392037 0.392037 0.559887 Gd\n0.192260 0.192260 0.164195 Ho\n0.807740 0.807740 0.835805 Ho\n0.093275 0.093275 0.297996 N\n0.906725 0.906725 0.702004 N\n0.460819 0.460819 0.358753 O\n0.539181 0.539181 0.641247 O\n0.365309 0.365309 0.030690 S\n0.634691 0.634691 0.969310 S\n0.784470 0.784470 0.346359 Se\n0.215530 0.215530 0.653641 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": 7.3411451927023075,
"density_atomic": 0.0494582419380006,
"volume": 283.06707742563896,
"volume_molar": 12.176212748421545,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.45926613253366,
"spacegroup": 12
},
{
"id": "oqmd-114156",
"created_at": "2022-09-04T15:33:16.186288Z",
"updated_at": "2022-09-04T15:33:16.186316Z",
"structure_string": "Zn4 P4 H20 C4 N4 Cl4 O12\n1.0\n4.697225 0.000000 -0.001953\n0.000000 15.483528 0.000000\n-2.375263 0.000000 7.712458\nC Cl H N O P Zn\n4 4 20 4 12 4 4\ndirect\n0.906366 0.074108 0.185623 C\n0.093633 0.574108 0.314376 C\n0.906366 0.425892 0.685623 C\n0.093634 0.925892 0.814376 C\n0.443615 0.416561 0.119570 Cl\n0.556387 0.916561 0.380431 Cl\n0.443613 0.083439 0.619570 Cl\n0.556387 0.583439 0.880431 Cl\n0.051207 0.636581 0.078013 H\n0.729840 0.039142 0.090007 H\n0.289866 0.553074 0.119601 H\n0.394378 0.648513 0.217914 H\n0.086192 0.027974 0.242383 H\n0.913808 0.527974 0.257618 H\n0.605624 0.148513 0.282087 H\n0.710134 0.053074 0.380400 H\n0.270160 0.539142 0.409994 H\n0.948793 0.136581 0.421987 H\n0.051205 0.863419 0.578013 H\n0.729840 0.460858 0.590007 H\n0.289866 0.946926 0.619601 H\n0.394376 0.851487 0.717914 H\n0.086192 0.472026 0.742382 H\n0.913808 0.972026 0.757618 H\n0.605623 0.351487 0.782086 H\n0.710134 0.446927 0.880399 H\n0.270160 0.960858 0.909994 H\n0.948794 0.363419 0.921988 H\n0.213565 0.605662 0.174707 N\n0.786434 0.105662 0.325294 N\n0.213566 0.894338 0.674707 N\n0.786435 0.394338 0.825294 N\n0.208253 0.778722 0.011607 O\n0.793605 0.883523 0.034063 O\n0.273417 0.208527 0.235645 O\n0.726582 0.708527 0.264354 O\n0.206394 0.383523 0.465936 O\n0.791746 0.278723 0.488392 O\n0.208253 0.721277 0.511607 O\n0.793605 0.616477 0.534063 O\n0.273417 0.291473 0.735645 O\n0.726583 0.791473 0.764354 O\n0.206395 0.116477 0.965936 O\n0.791747 0.221277 0.988393 O\n0.049214 0.162038 0.083287 P\n0.950788 0.662038 0.416714 P\n0.049214 0.337962 0.583287 P\n0.950786 0.837962 0.916714 P\n0.583003 0.822342 0.175516 Zn\n0.416999 0.322342 0.324485 Zn\n0.583001 0.677658 0.675516 Zn\n0.416999 0.177658 0.824485 Zn\n",
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"elements": [
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],
"chemical_system": "C-Cl-H-N-O-P-Zn",
"density": 2.4975763777549966,
"density_atomic": 0.09271603679513016,
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"volume_molar": 6.495252567047072,
"formula_full": "Zn4 P4 H20 C4 N4 Cl4 O12",
"formula_reduced": "ZnPH5CNClO3",
"formula_anonymous": "ABCDEF3G5",
"formation_energy": -1.15144532584459,
"spacegroup": 14
},
{
"id": "oqmd-1558440",
"created_at": "2022-09-04T15:55:40.784656Z",
"updated_at": "2022-09-04T15:55:40.784673Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.734731 -1.927972 0.000000\n7.734731 1.927972 0.000000\n-1.372718 0.000000 9.434645\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.194787 0.194787 0.168411 Dy\n0.805213 0.805213 0.831589 Dy\n0.950294 0.950294 0.232201 Gd\n0.049706 0.049706 0.767799 Gd\n0.606517 0.606517 0.441514 Ho\n0.393483 0.393483 0.558486 Ho\n0.095182 0.095182 0.305644 N\n0.904818 0.904818 0.694356 N\n0.462038 0.462038 0.360721 O\n0.537962 0.537962 0.639279 O\n0.366450 0.366450 0.026520 S\n0.633550 0.633550 0.973480 S\n0.785664 0.785664 0.350792 Se\n0.214336 0.214336 0.649208 Se\n",
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"elements": [
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"Ho",
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],
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"density": 7.385020050561664,
"density_atomic": 0.04975383251386343,
"volume": 281.38535852688403,
"volume_molar": 12.103873120371155,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.459452757533659,
"spacegroup": 12
},
{
"id": "oqmd-1557665",
"created_at": "2022-09-04T15:55:40.612368Z",
"updated_at": "2022-09-04T15:55:40.612380Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.775301 -1.947111 0.000000\n7.775301 1.947111 0.000000\n-1.122604 0.000000 9.424384\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198909 0.198909 0.172696 Er\n0.801091 0.801091 0.827304 Er\n0.606612 0.606612 0.441918 Ho\n0.393388 0.393388 0.558082 Ho\n0.098730 0.098730 0.308782 N\n0.901270 0.901270 0.691218 N\n0.952771 0.952771 0.224113 Nd\n0.047229 0.047229 0.775887 Nd\n0.463661 0.463661 0.360844 O\n0.536339 0.536339 0.639156 O\n0.363178 0.363178 0.016135 S\n0.636822 0.636822 0.983865 S\n0.786093 0.786093 0.350580 Se\n0.213907 0.213907 0.649420 Se\n",
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"density_atomic": 0.04906108469945004,
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"volume_molar": 12.274781116014555,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-65561",
"created_at": "2022-09-04T15:33:31.936162Z",
"updated_at": "2022-09-04T15:33:31.936192Z",
"structure_string": "K4 H8 Pt2 C12 S12 N12 O4\n1.0\n7.136876 0.000000 -0.028862\n0.000000 10.875005 0.000000\n-1.858539 0.000000 11.208325\nC H K N O Pt S\n12 8 4 12 4 2 12\ndirect\n0.338383 0.060421 0.220795 C\n0.838383 0.439579 0.220796 C\n0.063519 0.821818 0.234220 C\n0.563519 0.678183 0.234221 C\n0.346964 0.409002 0.240539 C\n0.846964 0.090998 0.240539 C\n0.153037 0.909001 0.759461 C\n0.653038 0.590998 0.759461 C\n0.936480 0.178183 0.765779 C\n0.436480 0.321818 0.765780 C\n0.161617 0.560421 0.779204 C\n0.661616 0.939579 0.779204 C\n0.315445 0.589674 0.417754 H\n0.815444 0.910325 0.417754 H\n0.117576 0.089944 0.445285 H\n0.617575 0.410056 0.445285 H\n0.382425 0.589945 0.554715 H\n0.882425 0.910057 0.554716 H\n0.184555 0.089674 0.582245 H\n0.684555 0.410325 0.582246 H\n0.391036 0.847673 0.499566 K\n0.891036 0.652327 0.499566 K\n0.108965 0.347673 0.500435 K\n0.608964 0.152326 0.500435 K\n0.435492 0.007229 0.298547 N\n0.935492 0.492771 0.298547 N\n0.526134 0.679858 0.331537 N\n0.026134 0.820142 0.331538 N\n0.406594 0.359247 0.331606 N\n0.906594 0.140753 0.331606 N\n0.093406 0.859246 0.668394 N\n0.593406 0.640753 0.668395 N\n0.473868 0.320142 0.668463 N\n0.973866 0.179857 0.668463 N\n0.564508 0.992771 0.701452 N\n0.064508 0.507228 0.701453 N\n0.767200 0.915737 0.493296 O\n0.267201 0.584263 0.493297 O\n0.232799 0.084262 0.506703 O\n0.732801 0.415738 0.506704 O\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.127578 0.815733 0.101154 S\n0.627579 0.684266 0.101155 S\n0.209745 0.143654 0.114964 S\n0.709745 0.356346 0.114964 S\n0.249361 0.480539 0.116761 S\n0.749361 0.019462 0.116762 S\n0.250639 0.980538 0.883238 S\n0.750640 0.519461 0.883239 S\n0.290255 0.643654 0.885037 S\n0.790255 0.856345 0.885037 S\n0.372422 0.315734 0.898845 S\n0.872422 0.184267 0.898845 S\n",
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"formula_full": "K4 H8 Pt2 C12 S12 N12 O4",
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}
]
}