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{
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"results": [
{
"id": "oqmd-1557570",
"created_at": "2022-09-04T15:55:49.766852Z",
"updated_at": "2022-09-04T15:55:49.766881Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.702924 -1.922290 0.000000\n7.702924 1.922290 0.000000\n-1.485174 0.000000 9.428643\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.605629 0.605629 0.440778 Er\n0.394371 0.394371 0.559222 Er\n0.093326 0.093326 0.304701 N\n0.906674 0.906674 0.695299 N\n0.460940 0.460940 0.362254 O\n0.539060 0.539060 0.637746 O\n0.366809 0.366809 0.031503 S\n0.633191 0.633191 0.968497 S\n0.785190 0.785190 0.352971 Se\n0.214810 0.214810 0.647029 Se\n0.193293 0.193293 0.167399 Tb\n0.806707 0.806707 0.832601 Tb\n0.948383 0.948383 0.235484 Y\n0.051617 0.051617 0.764516 Y\n",
"nsites": 14,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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{
"id": "oqmd-1557488",
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"updated_at": "2022-09-04T15:55:49.897860Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.662688 -1.954623 0.000000\n7.662688 1.954623 0.000000\n-1.501842 0.000000 9.644789\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199837 0.199837 0.175866 Er\n0.800163 0.800163 0.824134 Er\n0.098408 0.098408 0.303952 N\n0.901592 0.901592 0.696048 N\n0.614891 0.614891 0.447698 Nd\n0.385109 0.385109 0.552302 Nd\n0.461667 0.461667 0.355523 O\n0.538333 0.538333 0.644477 O\n0.785951 0.785951 0.339474 S\n0.214049 0.214049 0.660526 S\n0.367638 0.367638 0.024488 Se\n0.632362 0.632362 0.975512 Se\n0.952087 0.952087 0.235931 Tb\n0.047913 0.047913 0.764069 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
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],
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"density": 7.028755877142102,
"density_atomic": 0.04845751751347261,
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"volume_molar": 12.427670811501372,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557593",
"created_at": "2022-09-04T15:55:50.231204Z",
"updated_at": "2022-09-04T15:55:50.231216Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.541725 -1.931040 0.000000\n7.541725 1.931040 0.000000\n-1.261895 0.000000 9.456732\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.611085 0.611085 0.447851 Er\n0.388915 0.388915 0.552149 Er\n0.953994 0.953994 0.237409 Gd\n0.046006 0.046006 0.762591 Gd\n0.203109 0.203109 0.183437 Ho\n0.796891 0.796891 0.816563 Ho\n0.100319 0.100319 0.317896 N\n0.899681 0.899681 0.682104 N\n0.463110 0.463110 0.361837 O\n0.536890 0.536890 0.638163 O\n0.787250 0.787250 0.350776 S\n0.212750 0.212750 0.649224 S\n0.370113 0.370113 0.019533 Se\n0.629887 0.629887 0.980467 Se\n",
"nsites": 14,
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"elements": [
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"Ho",
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"O",
"S",
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],
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"density": 7.601700751193338,
"density_atomic": 0.050827060797607064,
"volume": 275.4438242208788,
"volume_molar": 11.848296292363067,
"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.483295314438421,
"spacegroup": 12
},
{
"id": "oqmd-1557519",
"created_at": "2022-09-04T15:55:49.980108Z",
"updated_at": "2022-09-04T15:55:49.980143Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.703157 -1.908886 0.000000\n7.703157 1.908886 0.000000\n-1.555318 0.000000 9.410284\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051984 0.051984 0.264064 Er\n0.948016 0.948016 0.735936 Er\n0.808496 0.808496 0.335694 Ho\n0.191504 0.191504 0.664306 Ho\n0.907820 0.907820 0.201320 N\n0.092180 0.092180 0.798680 N\n0.540286 0.540286 0.140986 O\n0.459714 0.459714 0.859014 O\n0.633865 0.633865 0.467126 S\n0.366135 0.366135 0.532874 S\n0.215491 0.215491 0.151714 Se\n0.784509 0.784509 0.848286 Se\n0.392640 0.392640 0.060150 Y\n0.607360 0.607360 0.939850 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.745769640420533,
"density_atomic": 0.05058789020166247,
"volume": 276.74607389615784,
"volume_molar": 11.904312941285887,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558383",
"created_at": "2022-09-04T15:55:42.619581Z",
"updated_at": "2022-09-04T15:55:42.619603Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.599480 -1.947093 0.000000\n7.599480 1.947093 0.000000\n-1.288751 0.000000 9.550822\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953680 0.953680 0.239510 Gd\n0.046320 0.046320 0.760490 Gd\n0.610993 0.610993 0.448295 Ho\n0.389007 0.389007 0.551705 Ho\n0.099496 0.099496 0.318419 N\n0.900504 0.900504 0.681581 N\n0.463085 0.463085 0.362511 O\n0.536915 0.536915 0.637489 O\n0.787164 0.787164 0.351251 S\n0.212836 0.212836 0.648749 S\n0.371453 0.371453 0.021661 Se\n0.628547 0.628547 0.978339 Se\n0.202317 0.202317 0.182421 Tb\n0.797683 0.797683 0.817579 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
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"density": 7.310105497254322,
"density_atomic": 0.049532097263902265,
"volume": 282.6450074465723,
"volume_molar": 12.158057285389331,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.383319242962231,
"spacegroup": 12
},
{
"id": "oqmd-1557609",
"created_at": "2022-09-04T15:55:50.283076Z",
"updated_at": "2022-09-04T15:55:50.283101Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.581718 -1.962449 0.000000\n7.581718 1.962449 0.000000\n-0.619426 0.000000 9.449412\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.213804 0.213804 0.185608 Er\n0.786196 0.786196 0.814392 Er\n0.110890 0.110890 0.326353 N\n0.889110 0.889110 0.673647 N\n0.969456 0.969456 0.222566 Nd\n0.030544 0.030544 0.777434 Nd\n0.469978 0.469978 0.355034 O\n0.530022 0.530022 0.644966 O\n0.793152 0.793152 0.341918 S\n0.206848 0.206848 0.658082 S\n0.625549 0.625549 0.001788 Se\n0.374451 0.374451 0.998212 Se\n0.614662 0.614662 0.454038 Y\n0.385338 0.385338 0.545962 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-N-Nd-O-S-Se-Y",
"density": 6.394800484452098,
"density_atomic": 0.049788294418513825,
"volume": 281.19059235726877,
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"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-11768",
"created_at": "2022-09-04T14:49:02.786017Z",
"updated_at": "2022-09-04T14:49:02.786044Z",
"structure_string": "Cd2 H14 C2 S2 N6 Cl4 O2\n1.0\n-3.829138 0.000000 5.698235\n-6.069826 0.000000 -5.694568\n4.949482 -7.549178 -0.001834\nC Cd Cl H N O S\n2 2 4 14 6 2 2\ndirect\n0.750005 0.610370 0.002085 C\n0.247920 0.608285 0.997915 C\n0.526944 0.995379 0.064661 Cd\n0.962283 0.930718 0.935339 Cd\n0.284498 0.198750 0.027549 Cl\n0.829937 0.316326 0.401052 Cl\n0.928887 0.915275 0.598949 Cl\n0.756949 0.171202 0.972450 Cl\n0.720778 0.507332 0.047367 H\n0.346738 0.648314 0.255437 H\n0.355811 0.969719 0.308691 H\n0.855943 0.440335 0.352186 H\n0.581786 0.929409 0.378244 H\n0.014345 0.678235 0.396213 H\n0.099391 0.633957 0.415635 H\n0.183756 0.218321 0.584366 H\n0.118133 0.282022 0.603786 H\n0.703543 0.551166 0.621756 H\n0.003758 0.088148 0.647814 H\n0.547121 0.661028 0.691308 H\n0.591300 0.392877 0.744563 H\n0.173411 0.459965 0.952633 H\n0.354823 0.709245 0.174958 N\n0.453897 0.899823 0.260811 N\n0.437379 0.423633 0.394777 N\n0.542603 0.028857 0.605223 N\n0.693087 0.639012 0.739189 N\n0.679865 0.534286 0.825042 N\n0.371462 0.557860 0.425669 O\n0.445793 0.132190 0.574331 O\n0.869666 0.838324 0.151880 S\n0.217786 0.686444 0.848120 S\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "C-Cd-Cl-H-N-O-S",
"density": 2.281578831730792,
"density_atomic": 0.07516719351153105,
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"formula_full": "Cd2 H14 C2 S2 N6 Cl4 O2",
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"spacegroup": 9
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{
"id": "oqmd-646422",
"created_at": "2022-09-04T15:17:58.934793Z",
"updated_at": "2022-09-04T15:17:58.934830Z",
"structure_string": "K2 P2 H10 C4 S4 N6 O6\n1.0\n6.469109 -0.047419 0.004109\n-0.951390 6.723953 -0.014620\n-2.389436 -0.370251 9.960191\nC H K N O P S\n4 10 2 6 6 2 4\ndirect\n0.195729 0.295042 0.031138 C\n0.293966 0.978319 0.125894 C\n0.706033 0.021683 0.874107 C\n0.804269 0.704959 0.968861 C\n0.570717 0.854485 0.010844 H\n0.959990 0.414609 0.094133 H\n0.148497 0.858134 0.273230 H\n0.167140 0.582461 0.399425 H\n0.114310 0.758553 0.481852 H\n0.885687 0.241446 0.518147 H\n0.832861 0.417538 0.600575 H\n0.851500 0.141865 0.726770 H\n0.040011 0.585390 0.905867 H\n0.429284 0.145513 0.989156 H\n0.659870 0.633912 0.286602 K\n0.340129 0.366087 0.713398 K\n0.320420 0.144472 0.050377 N\n0.064647 0.308320 0.115549 N\n0.158957 0.978497 0.209429 N\n0.841043 0.021504 0.790571 N\n0.935354 0.691680 0.884451 N\n0.679581 0.855527 0.949623 N\n0.793985 0.589565 0.062847 O\n0.389277 0.834250 0.113864 O\n0.087964 0.698671 0.389461 O\n0.912037 0.301329 0.610540 O\n0.610723 0.165751 0.886137 O\n0.206015 0.410436 0.937153 O\n0.087052 0.190743 0.263827 P\n0.912947 0.809256 0.736173 P\n0.804421 0.141400 0.307609 S\n0.334821 0.328064 0.402695 S\n0.665178 0.671936 0.597304 S\n0.195578 0.858601 0.692391 S\n",
"nsites": 34,
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"elements": [
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"formula_full": "K2 P2 H10 C4 S4 N6 O6",
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},
{
"id": "oqmd-55869",
"created_at": "2022-09-04T15:27:12.213922Z",
"updated_at": "2022-09-04T15:27:12.213946Z",
"structure_string": "Ca2 Ag4 H8 C8 S8 N8 O4\n1.0\n0.000000 7.560486 0.000000\n-1.243875 0.000000 7.637889\n11.451628 -3.780243 0.021937\nAg C Ca H N O S\n4 8 2 8 8 4 8\ndirect\n0.630834 0.727552 0.425720 Ag\n0.794886 0.227551 0.425720 Ag\n0.369167 0.272449 0.574280 Ag\n0.205114 0.772448 0.574281 Ag\n0.649152 0.916005 0.196121 C\n0.546970 0.416006 0.196121 C\n0.198311 0.669768 0.288854 C\n0.090543 0.169769 0.288854 C\n0.909457 0.830232 0.711146 C\n0.801690 0.330231 0.711146 C\n0.350847 0.083995 0.803879 C\n0.453032 0.583995 0.803879 C\n0.082975 0.250000 0.000000 Ca\n0.917026 0.750000 0.000000 Ca\n0.283350 0.560389 0.009250 H\n0.725900 0.060389 0.009250 H\n0.283560 0.962491 0.125323 H\n0.841762 0.462490 0.125323 H\n0.158237 0.537509 0.874677 H\n0.716440 0.037509 0.874677 H\n0.274100 0.939611 0.990750 H\n0.716650 0.439611 0.990750 H\n0.721641 0.868001 0.123870 N\n0.402228 0.368001 0.123870 N\n0.118982 0.714887 0.197788 N\n0.078805 0.214887 0.197788 N\n0.921194 0.785113 0.802212 N\n0.881018 0.285113 0.802212 N\n0.278358 0.131999 0.876130 N\n0.597772 0.631999 0.876130 N\n0.197574 0.952984 0.043404 O\n0.845830 0.452985 0.043404 O\n0.802426 0.047015 0.956596 O\n0.154171 0.547016 0.956597 O\n0.542849 0.982894 0.293320 S\n0.750472 0.482895 0.293320 S\n0.312539 0.602298 0.414147 S\n0.101608 0.102297 0.414147 S\n0.898393 0.897702 0.585853 S\n0.687461 0.397703 0.585853 S\n0.457152 0.017105 0.706680 S\n0.249528 0.517106 0.706681 S\n",
"nsites": 42,
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"elements": [
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],
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"density": 2.6316569656079825,
"density_atomic": 0.0634926621338612,
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"volume_molar": 9.484782268703045,
"formula_full": "Ca2 Ag4 H8 C8 S8 N8 O4",
"formula_reduced": "CaAg2H4C4S4(N2O)2",
"formula_anonymous": "AB2C2D4E4F4G4",
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},
{
"id": "oqmd-43830",
"created_at": "2022-09-04T15:33:15.474481Z",
"updated_at": "2022-09-04T15:33:15.474517Z",
"structure_string": "Zn1 As2 C6 S12 N12 O6 F12\n1.0\n11.377343 -0.000067 0.000013\n-5.688729 9.853222 0.000039\n0.000008 0.000030 6.460194\nAs C F N O S Zn\n2 6 12 12 6 12 1\ndirect\n0.333334 0.666665 0.447711 As\n0.666666 0.333335 0.552290 As\n0.092223 0.843843 0.237791 C\n0.751643 0.907772 0.237822 C\n0.156117 0.248349 0.237829 C\n0.843883 0.751652 0.762172 C\n0.248357 0.092228 0.762179 C\n0.907777 0.156157 0.762210 C\n0.211717 0.534563 0.289904 F\n0.465436 0.677152 0.289904 F\n0.322847 0.788282 0.289909 F\n0.797780 0.342593 0.394286 F\n0.544808 0.202221 0.394288 F\n0.657410 0.455195 0.394291 F\n0.342591 0.544806 0.605710 F\n0.202218 0.657406 0.605713 F\n0.455192 0.797780 0.605713 F\n0.677153 0.211719 0.710089 F\n0.788282 0.465438 0.710095 F\n0.534565 0.322848 0.710096 F\n0.167829 0.304504 0.050681 N\n0.695495 0.863327 0.050684 N\n0.136671 0.832166 0.050691 N\n0.410262 0.405329 0.165792 N\n0.995066 0.589734 0.165793 N\n0.594673 0.004937 0.165794 N\n0.405328 0.995064 0.834205 N\n0.004935 0.410266 0.834206 N\n0.589738 0.594672 0.834209 N\n0.863328 0.167832 0.949309 N\n0.304505 0.136672 0.949317 N\n0.832169 0.695495 0.949319 N\n0.045271 0.170028 0.325365 O\n0.829973 0.875242 0.325383 O\n0.124762 0.954754 0.325398 O\n0.875239 0.045247 0.674603 O\n0.170027 0.124758 0.674618 O\n0.954729 0.829972 0.674632 O\n0.913747 0.318813 0.020499 S\n0.405067 0.086252 0.020500 S\n0.681186 0.594934 0.020502 S\n0.694021 0.015599 0.352028 S\n0.321573 0.305979 0.352029 S\n0.984404 0.678421 0.352036 S\n0.015597 0.321579 0.647965 S\n0.678425 0.694019 0.647972 S\n0.305979 0.984402 0.647972 S\n0.318815 0.405067 0.979498 S\n0.594934 0.913749 0.979499 S\n0.086254 0.681188 0.979500 S\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 51,
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"elements": [
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],
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},
{
"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-65248",
"created_at": "2022-09-04T15:33:37.195425Z",
"updated_at": "2022-09-04T15:33:37.195450Z",
"structure_string": "Li2 Cu1 P6 H20 C2 N6 O22\n1.0\n9.387179 0.041611 0.017210\n0.882701 9.021330 0.066769\n-2.491912 -2.045420 6.473090\nC Cu H Li N O P\n2 1 20 2 6 22 6\ndirect\n0.951650 0.492861 0.243109 C\n0.048349 0.507140 0.756891 C\n0.499999 0.500000 0.499999 Cu\n0.368588 0.424093 0.070469 H\n0.429555 0.803834 0.073389 H\n0.052808 0.288176 0.135913 H\n0.402993 0.600496 0.161227 H\n0.884408 0.269173 0.182195 H\n0.149085 0.539403 0.199061 H\n0.589757 0.780472 0.224007 H\n0.039759 0.698795 0.271708 H\n0.761355 0.494783 0.323723 H\n0.828830 0.677134 0.355526 H\n0.171170 0.322867 0.644474 H\n0.238645 0.505218 0.676278 H\n0.960241 0.301204 0.728291 H\n0.410243 0.219529 0.775993 H\n0.850916 0.460598 0.800939 H\n0.115592 0.730828 0.817805 H\n0.597006 0.399504 0.838773 H\n0.947192 0.711822 0.864087 H\n0.570445 0.196167 0.926611 H\n0.631411 0.575907 0.929531 H\n0.845029 0.939062 0.173804 Li\n0.154970 0.060939 0.826196 Li\n0.963757 0.339062 0.183258 N\n0.054982 0.582412 0.239545 N\n0.836386 0.559231 0.305983 N\n0.163614 0.440767 0.694017 N\n0.945017 0.417589 0.760455 N\n0.036243 0.660939 0.816742 N\n0.220362 0.200250 0.090051 O\n0.502283 0.724133 0.110963 O\n0.347621 0.516500 0.171652 O\n0.747147 0.136201 0.174672 O\n0.493845 0.118644 0.203521 O\n0.053381 0.952725 0.264166 O\n0.323550 0.024418 0.325061 O\n0.637582 0.378735 0.366695 O\n0.778254 0.883164 0.374407 O\n0.389481 0.310208 0.469676 O\n0.279242 0.833721 0.471186 O\n0.720758 0.166280 0.528813 O\n0.610519 0.689791 0.530324 O\n0.221746 0.116836 0.625593 O\n0.362419 0.621266 0.633305 O\n0.676451 0.975581 0.674939 O\n0.946619 0.047275 0.735834 O\n0.506155 0.881357 0.796479 O\n0.252853 0.863799 0.825328 O\n0.652378 0.483501 0.828348 O\n0.497717 0.275866 0.889037 O\n0.779638 0.799751 0.909949 O\n0.346404 0.178700 0.272865 P\n0.655545 0.205117 0.313353 P\n0.204247 0.992881 0.424252 P\n0.795752 0.007120 0.575747 P\n0.344455 0.794883 0.686647 P\n0.653596 0.821299 0.727136 P\n",
"nsites": 59,
"nelements": 7,
"elements": [
"C",
"Cu",
"H",
"Li",
"N",
"O",
"P"
],
"chemical_system": "C-Cu-H-Li-N-O-P",
"density": 2.2464535300783632,
"density_atomic": 0.10735749380853728,
"volume": 549.5657350684933,
"volume_molar": 5.60942748043277,
"formula_full": "Li2 Cu1 P6 H20 C2 N6 O22",
"formula_reduced": "Li2CuP6H20C2(N3O11)2",
"formula_anonymous": "AB2C2D6E6F20G22",
"formation_energy": -1.47006038466989,
"spacegroup": 2
}
]
}