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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=5",
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"results": [
{
"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,
"nelements": 7,
"elements": [
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"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
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"density": 7.411579764376672,
"density_atomic": 0.0500323975126692,
"volume": 279.81869140800063,
"volume_molar": 12.036482478128445,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.383472373914612,
"spacegroup": 12
},
{
"id": "oqmd-1557657",
"created_at": "2022-09-04T15:55:39.792859Z",
"updated_at": "2022-09-04T15:55:39.792883Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.670208 -1.908504 0.000000\n7.670208 1.908504 0.000000\n-1.516851 0.000000 9.397668\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.192093 0.192093 0.166576 Dy\n0.807907 0.807907 0.833424 Dy\n0.605962 0.605962 0.440365 Er\n0.394038 0.394038 0.559635 Er\n0.947741 0.947741 0.236047 Ho\n0.052259 0.052259 0.763953 Ho\n0.092398 0.092398 0.303254 N\n0.907602 0.907602 0.696746 N\n0.460026 0.460026 0.361218 O\n0.539974 0.539974 0.638782 O\n0.366886 0.366886 0.032009 S\n0.633114 0.633114 0.967991 S\n0.784721 0.784721 0.351659 Se\n0.215279 0.215279 0.648341 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Ho-N-O-S-Se",
"density": 7.673525578095437,
"density_atomic": 0.05088358782136406,
"volume": 275.1378312620074,
"volume_molar": 11.835133916149552,
"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.470253714319373,
"spacegroup": 12
},
{
"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-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": [
"Er",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Er-Gd-N-O-S-Se-Tb",
"density": 7.367030131478132,
"density_atomic": 0.04973166204019457,
"volume": 281.51080067834437,
"volume_molar": 12.109269051037808,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.362956564628897,
"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-1558099",
"created_at": "2022-09-04T15:55:39.336146Z",
"updated_at": "2022-09-04T15:55:39.336156Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.695635 -1.966746 0.000000\n7.695635 1.966746 0.000000\n-1.441482 0.000000 9.700669\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.799514 0.799514 0.323339 Dy\n0.200486 0.200486 0.676661 Dy\n0.046439 0.046439 0.263502 Gd\n0.953561 0.953561 0.736498 Gd\n0.900541 0.900541 0.192557 N\n0.099459 0.099459 0.807443 N\n0.385280 0.385280 0.051496 Nd\n0.614720 0.614720 0.948504 Nd\n0.537414 0.537414 0.143889 O\n0.462586 0.462586 0.856111 O\n0.213135 0.213135 0.159878 S\n0.786865 0.786865 0.840122 S\n0.630619 0.630619 0.476749 Se\n0.369381 0.369381 0.523251 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
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],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.842686311051736,
"density_atomic": 0.04767641782461434,
"volume": 293.64622257278927,
"volume_molar": 12.63127775696876,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.43436796848604,
"spacegroup": 12
},
{
"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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"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-1558200",
"created_at": "2022-09-04T15:55:39.678435Z",
"updated_at": "2022-09-04T15:55:39.678459Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.814036 -1.959663 0.000000\n7.814036 1.959663 0.000000\n-1.195353 0.000000 9.515032\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802632 0.802632 0.329420 Dy\n0.197368 0.197368 0.670580 Dy\n0.901112 0.901112 0.190967 N\n0.098888 0.098888 0.809033 N\n0.046615 0.046615 0.274127 Nd\n0.953385 0.953385 0.725873 Nd\n0.535768 0.535768 0.140031 O\n0.464232 0.464232 0.859969 O\n0.634102 0.634102 0.481999 S\n0.365898 0.365898 0.518001 S\n0.213631 0.213631 0.152494 Se\n0.786369 0.786369 0.847506 Se\n0.392203 0.392203 0.056262 Tb\n0.607797 0.607797 0.943738 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
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"Se",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.914406831272072,
"density_atomic": 0.04804309596794092,
"volume": 291.4050337085307,
"volume_molar": 12.53487236546655,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-14527",
"created_at": "2022-09-04T15:17:36.662701Z",
"updated_at": "2022-09-04T15:17:36.662723Z",
"structure_string": "Ca2 Al1 H8 S2 Cl1 O12 F2\n1.0\n0.000000 -6.711300 0.000000\n-6.711300 -0.000000 0.000000\n3.355650 3.355650 -6.551246\nAl Ca Cl F H O S\n1 2 1 2 8 12 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.698688 0.698688 0.397376 Ca\n0.301312 0.301312 0.602624 Ca\n0.500000 0.500000 0.000000 Cl\n0.134819 0.134819 0.269639 F\n0.865180 0.865180 0.730360 F\n0.404885 0.163697 0.123677 H\n0.959981 0.404885 0.123677 H\n0.163697 0.718792 0.123677 H\n0.718792 0.959981 0.123677 H\n0.281208 0.040019 0.876322 H\n0.836303 0.281208 0.876322 H\n0.040019 0.595114 0.876322 H\n0.595114 0.836303 0.876322 H\n0.282717 0.041026 0.000000 O\n0.958972 0.282717 0.000000 O\n0.041026 0.717284 0.000000 O\n0.717284 0.958972 0.000000 O\n0.759287 0.020670 0.367577 O\n0.608291 0.346908 0.367577 O\n0.020670 0.608291 0.367577 O\n0.346908 0.759287 0.367577 O\n0.653090 0.240713 0.632422 O\n0.979330 0.391709 0.632422 O\n0.391709 0.653090 0.632422 O\n0.240713 0.979330 0.632422 O\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n",
"nsites": 28,
"nelements": 7,
"elements": [
"Al",
"Ca",
"Cl",
"F",
"H",
"O",
"S"
],
"chemical_system": "Al-Ca-Cl-F-H-O-S",
"density": 2.502942943628222,
"density_atomic": 0.0948900813018305,
"volume": 295.0782591379217,
"volume_molar": 6.346438613372574,
"formula_full": "Ca2 Al1 H8 S2 Cl1 O12 F2",
"formula_reduced": "Ca2AlH8S2Cl(O6F)2",
"formula_anonymous": "ABC2D2E2F8G12",
"formation_energy": -2.06492085928309,
"spacegroup": 87
},
{
"id": "oqmd-1557661",
"created_at": "2022-09-04T15:55:40.010070Z",
"updated_at": "2022-09-04T15:55:40.010103Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.688905 -1.908581 0.000000\n7.688905 1.908581 0.000000\n-1.489503 0.000000 9.369879\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607345 0.607345 0.440611 Dy\n0.392655 0.392655 0.559389 Dy\n0.192940 0.192940 0.165907 Er\n0.807060 0.807060 0.834093 Er\n0.948915 0.948915 0.233555 Ho\n0.051085 0.051085 0.766445 Ho\n0.093284 0.093284 0.299651 N\n0.906716 0.906716 0.700349 N\n0.461004 0.461004 0.358967 O\n0.538996 0.538996 0.641033 O\n0.364922 0.364922 0.030314 S\n0.635078 0.635078 0.969686 S\n0.785019 0.785019 0.348577 Se\n0.214981 0.214981 0.651423 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"chemical_system": "Dy-Er-Ho-N-O-S-Se",
"density": 7.677258879975479,
"density_atomic": 0.05090834356005855,
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"volume_molar": 11.829378720396681,
"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4696572436050874,
"spacegroup": 12
},
{
"id": "oqmd-643899",
"created_at": "2022-09-04T15:18:11.975820Z",
"updated_at": "2022-09-04T15:18:11.975845Z",
"structure_string": "Cs1 Cr1 H18 Br2 N6 Cl2 O8\n1.0\n-3.623076 6.275352 0.000000\n7.246153 0.000000 0.000000\n3.623076 -2.091784 -9.059649\nBr Cl Cr Cs H N O\n2 2 1 1 18 6 8\ndirect\n0.371454 0.628545 0.114365 Br\n0.628544 0.371455 0.885635 Br\n0.811162 0.188839 0.433485 Cl\n0.188838 0.811161 0.566515 Cl\n0.000000 0.000000 0.000000 Cr\n0.499999 0.500000 0.500000 Cs\n0.431796 0.142341 0.088719 H\n0.857659 0.200737 0.088719 H\n0.799264 0.568203 0.088719 H\n0.355384 0.268343 0.150733 H\n0.063692 0.644616 0.150733 H\n0.731656 0.936306 0.150733 H\n0.332731 0.019691 0.239749 H\n0.980309 0.073291 0.239749 H\n0.926709 0.667270 0.239749 H\n0.073292 0.332731 0.760251 H\n0.019690 0.926708 0.760251 H\n0.667270 0.980310 0.760251 H\n0.268342 0.063693 0.849267 H\n0.936308 0.355384 0.849267 H\n0.644616 0.731656 0.849267 H\n0.200737 0.431796 0.911281 H\n0.142342 0.799263 0.911281 H\n0.568203 0.857658 0.911281 H\n0.882707 0.060776 0.135736 N\n0.313806 0.117293 0.135736 N\n0.939224 0.686196 0.135736 N\n0.060777 0.313806 0.864264 N\n0.686195 0.882707 0.864264 N\n0.117293 0.939223 0.864264 N\n0.010046 0.286648 0.379849 O\n0.713352 0.343548 0.379849 O\n0.656451 0.989954 0.379849 O\n0.134952 0.865048 0.404856 O\n0.865048 0.134952 0.595144 O\n0.343549 0.010047 0.620151 O\n0.286649 0.656451 0.620151 O\n0.989954 0.713352 0.620151 O\n",
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"elements": [
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"chemical_system": "Br-Cl-Cr-Cs-H-N-O",
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"volume_molar": 6.528663263419068,
"formula_full": "Cs1 Cr1 H18 Br2 N6 Cl2 O8",
"formula_reduced": "CsCrH18Br2N6(ClO4)2",
"formula_anonymous": "ABC2D2E6F8G18",
"formation_energy": -0.662817304045668,
"spacegroup": 148
},
{
"id": "oqmd-1558389",
"created_at": "2022-09-04T15:55:43.422453Z",
"updated_at": "2022-09-04T15:55:43.422475Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.771168 -1.931884 0.000000\n7.771168 1.931884 0.000000\n-1.474679 0.000000 9.501814\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806788 0.806788 0.335080 Dy\n0.193212 0.193212 0.664920 Dy\n0.391988 0.391988 0.059032 Gd\n0.608012 0.608012 0.940968 Gd\n0.905762 0.905762 0.199807 N\n0.094238 0.094238 0.800193 N\n0.538541 0.538541 0.141248 O\n0.461459 0.461459 0.858752 O\n0.633989 0.633989 0.470434 S\n0.366011 0.366011 0.529566 S\n0.214898 0.214898 0.152844 Se\n0.785102 0.785102 0.847156 Se\n0.050269 0.050269 0.266990 Tb\n0.949731 0.949731 0.733010 Tb\n",
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"elements": [
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"volume": 285.3013744360252,
"volume_molar": 12.272321684822924,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
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}