HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=9",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=7",
"results": [
{
"id": "oqmd-1557498",
"created_at": "2022-09-04T15:55:48.635586Z",
"updated_at": "2022-09-04T15:55:48.635609Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.776586 -1.947948 0.000000\n7.776586 1.947948 0.000000\n-1.130194 0.000000 9.428352\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.394080 0.394080 0.058201 Er\n0.605920 0.605920 0.941799 Er\n0.801551 0.801551 0.327021 Ho\n0.198449 0.198449 0.672979 Ho\n0.902041 0.902041 0.189541 N\n0.097959 0.097959 0.810459 N\n0.047777 0.047777 0.274486 Nd\n0.952223 0.952223 0.725514 Nd\n0.536375 0.536375 0.138022 O\n0.463625 0.463625 0.861978 O\n0.636073 0.636073 0.482734 S\n0.363927 0.363927 0.517266 S\n0.214228 0.214228 0.147928 Se\n0.785772 0.785772 0.852072 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.178893350509919,
"density_atomic": 0.049011265156699325,
"volume": 285.6486147672184,
"volume_molar": 12.287258328765745,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4287919776527054,
"spacegroup": 12
},
{
"id": "oqmd-1557153",
"created_at": "2022-09-04T15:55:48.663178Z",
"updated_at": "2022-09-04T15:55:48.663204Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.722879 -1.922187 0.000000\n7.722879 1.922187 0.000000\n-1.462646 0.000000 9.420605\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.806025 0.806025 0.333620 Ho\n0.193975 0.193975 0.666380 Ho\n0.905452 0.905452 0.198735 N\n0.094548 0.094548 0.801265 N\n0.538797 0.538797 0.140861 O\n0.461203 0.461203 0.859139 O\n0.634942 0.634942 0.471476 S\n0.365058 0.365058 0.528524 S\n0.214756 0.214756 0.151271 Se\n0.785244 0.785244 0.848729 Se\n0.050313 0.050313 0.267501 Tb\n0.949687 0.949687 0.732499 Tb\n0.392392 0.392392 0.059001 Y\n0.607608 0.607608 0.940999 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "Ho-N-O-S-Se-Tb-Y",
"density": 6.575709225537619,
"density_atomic": 0.05005464427585202,
"volume": 279.69432612178315,
"volume_molar": 12.031132869133737,
"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbYHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.357965206176516,
"spacegroup": 12
},
{
"id": "oqmd-1557449",
"created_at": "2022-09-04T15:55:48.695062Z",
"updated_at": "2022-09-04T15:55:48.695101Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.558601 -1.928247 0.000000\n7.558601 1.928247 0.000000\n-1.519565 0.000000 9.545754\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.950845 0.950845 0.242457 Er\n0.049155 0.049155 0.757543 Er\n0.612624 0.612624 0.446724 Gd\n0.387376 0.387376 0.553276 Gd\n0.198433 0.198433 0.177320 Ho\n0.801567 0.801567 0.822680 Ho\n0.096692 0.096692 0.308927 N\n0.903308 0.903308 0.691073 N\n0.460853 0.460853 0.359871 O\n0.539147 0.539147 0.640129 O\n0.785694 0.785694 0.345937 S\n0.214306 0.214306 0.654063 S\n0.370106 0.370106 0.028879 Se\n0.629894 0.629894 0.971121 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Gd",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Er-Gd-Ho-N-O-S-Se",
"density": 7.524878461862661,
"density_atomic": 0.050313405854032926,
"volume": 278.25585969306456,
"volume_molar": 11.96925681690318,
"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4829462580098496,
"spacegroup": 12
},
{
"id": "oqmd-1557523",
"created_at": "2022-09-04T15:55:48.706364Z",
"updated_at": "2022-09-04T15:55:48.706391Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.738530 -1.920835 0.000000\n7.738530 1.920835 0.000000\n-1.510196 0.000000 9.429134\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.051051 0.051051 0.268355 Dy\n0.948949 0.948949 0.731645 Dy\n0.807044 0.807044 0.335020 Er\n0.192956 0.192956 0.664980 Er\n0.391876 0.391876 0.059154 Gd\n0.608124 0.608124 0.940846 Gd\n0.906546 0.906546 0.202512 N\n0.093454 0.093454 0.797488 N\n0.538957 0.538957 0.142419 O\n0.461043 0.461043 0.857581 O\n0.635675 0.635675 0.470681 S\n0.364325 0.364325 0.529319 S\n0.215114 0.215114 0.153774 Se\n0.784886 0.784886 0.846226 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"Gd",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Gd-N-O-S-Se",
"density": 7.440740059240573,
"density_atomic": 0.049943353629110294,
"volume": 280.3175794714729,
"volume_molar": 12.057942293426406,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4594721320574684,
"spacegroup": 12
},
{
"id": "oqmd-120309",
"created_at": "2022-09-04T15:33:29.455535Z",
"updated_at": "2022-09-04T15:33:29.455569Z",
"structure_string": "Zn2 H24 C4 S4 N8 Cl4 O8\n1.0\n13.945381 0.000000 0.000000\n0.000000 4.706873 0.000000\n0.000000 0.000000 8.676215\nC Cl H N O S Zn\n4 4 24 8 8 4 2\ndirect\n0.360884 0.131098 0.369579 C\n0.639116 0.131098 0.369579 C\n0.139115 0.868902 0.869580 C\n0.860885 0.868902 0.869580 C\n0.500000 0.268507 0.037301 Cl\n0.000000 0.446131 0.076414 Cl\n0.000000 0.731494 0.537300 Cl\n0.500000 0.553869 0.576414 Cl\n0.178984 0.170891 0.175896 H\n0.821016 0.170891 0.175896 H\n0.378482 0.248305 0.264143 H\n0.621518 0.248305 0.264143 H\n0.421740 0.004810 0.411236 H\n0.578260 0.004810 0.411236 H\n0.171252 0.377750 0.441657 H\n0.828749 0.377750 0.441657 H\n0.336538 0.273460 0.461513 H\n0.663461 0.273460 0.461513 H\n0.104918 0.088469 0.480136 H\n0.895082 0.088469 0.480136 H\n0.321016 0.829111 0.675896 H\n0.678984 0.829111 0.675896 H\n0.121518 0.751697 0.764142 H\n0.878482 0.751697 0.764142 H\n0.078260 0.995189 0.911236 H\n0.921740 0.995189 0.911236 H\n0.328749 0.622250 0.941657 H\n0.671251 0.622250 0.941657 H\n0.163461 0.726540 0.961514 H\n0.836539 0.726540 0.961514 H\n0.395082 0.911531 0.980136 H\n0.604919 0.911531 0.980136 H\n0.170307 0.061168 0.277849 N\n0.829693 0.061168 0.277849 N\n0.125712 0.227684 0.394345 N\n0.874288 0.227684 0.394345 N\n0.329693 0.938834 0.777850 N\n0.670308 0.938834 0.777850 N\n0.374287 0.772315 0.894346 N\n0.625713 0.772315 0.894346 N\n0.293694 0.714884 0.196601 O\n0.706306 0.714884 0.196601 O\n0.245372 0.742121 0.472941 O\n0.754628 0.742121 0.472941 O\n0.206306 0.285117 0.696600 O\n0.793694 0.285117 0.696600 O\n0.254628 0.257880 0.972940 O\n0.745372 0.257880 0.972940 O\n0.269304 0.885614 0.329122 S\n0.730696 0.885614 0.329122 S\n0.230696 0.114388 0.829122 S\n0.769304 0.114388 0.829122 S\n0.000000 0.436296 0.330257 Zn\n0.500000 0.563705 0.830257 Zn\n",
"nsites": 54,
"nelements": 7,
"elements": [
"C",
"Cl",
"H",
"N",
"O",
"S",
"Zn"
],
"chemical_system": "C-Cl-H-N-O-S-Zn",
"density": 2.0794587458488807,
"density_atomic": 0.09482013949169052,
"volume": 569.4992676606665,
"volume_molar": 6.3511199121656485,
"formula_full": "Zn2 H24 C4 S4 N8 Cl4 O8",
"formula_reduced": "ZnH12C2S2N4(ClO2)2",
"formula_anonymous": "AB2C2D2E4F4G12",
"formation_energy": -0.593054670939412,
"spacegroup": 31
},
{
"id": "oqmd-1557177",
"created_at": "2022-09-04T15:55:48.730201Z",
"updated_at": "2022-09-04T15:55:48.730226Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.575454 -1.940515 0.000000\n7.575454 1.940515 0.000000\n-1.443463 0.000000 9.547252\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.611003 0.611003 0.447584 Dy\n0.388997 0.388997 0.552416 Dy\n0.097482 0.097482 0.314933 N\n0.902518 0.902518 0.685067 N\n0.461561 0.461561 0.362359 O\n0.538439 0.538439 0.637641 O\n0.786099 0.786099 0.349925 S\n0.213901 0.213901 0.650075 S\n0.371473 0.371473 0.026206 Se\n0.628527 0.628527 0.973794 Se\n0.199759 0.199759 0.180445 Tb\n0.800241 0.800241 0.819555 Tb\n0.951051 0.951051 0.241579 Y\n0.048949 0.048949 0.758421 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"N",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "Dy-N-O-S-Se-Tb-Y",
"density": 6.523521670633176,
"density_atomic": 0.04987627198219342,
"volume": 280.69459571874603,
"volume_molar": 12.074159757068442,
"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbDyYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.378910807366993,
"spacegroup": 12
},
{
"id": "oqmd-44414",
"created_at": "2022-09-04T15:33:17.393157Z",
"updated_at": "2022-09-04T15:33:17.393180Z",
"structure_string": "Na2 Ca4 Al4 P4 H10 O22 F8\n1.0\n9.383106 0.000000 0.009591\n0.000000 10.588925 0.000000\n-1.434827 0.000000 5.178755\nAl Ca F H Na O P\n4 4 8 10 2 22 4\ndirect\n0.740240 0.592580 0.221165 Al\n0.740240 0.907420 0.221165 Al\n0.259759 0.092581 0.778836 Al\n0.259759 0.407420 0.778836 Al\n0.146180 0.581819 0.244765 Ca\n0.146180 0.918181 0.244765 Ca\n0.853820 0.081819 0.755236 Ca\n0.853820 0.418181 0.755236 Ca\n0.905373 0.526360 0.145621 F\n0.905373 0.973640 0.145621 F\n0.707891 0.061112 0.338914 F\n0.707891 0.438889 0.338914 F\n0.292109 0.561112 0.661087 F\n0.292109 0.938888 0.661087 F\n0.094627 0.026360 0.854378 F\n0.094627 0.473640 0.854378 F\n0.865055 0.750000 0.037923 H\n0.440416 0.521448 0.177733 H\n0.440416 0.978553 0.177733 H\n0.396174 0.123367 0.230949 H\n0.396174 0.376633 0.230949 H\n0.603825 0.623367 0.769051 H\n0.603825 0.876633 0.769051 H\n0.559584 0.021448 0.822268 H\n0.559584 0.478553 0.822268 H\n0.134945 0.250000 0.962077 H\n0.686608 0.250000 0.198748 Na\n0.313392 0.750000 0.801253 Na\n0.974021 0.250000 0.073311 O\n0.774212 0.750000 0.100349 O\n0.355566 0.041321 0.136743 O\n0.355566 0.458679 0.136743 O\n0.319196 0.750000 0.239347 O\n0.552749 0.632612 0.256525 O\n0.552749 0.867387 0.256525 O\n0.471278 0.250000 0.345091 O\n0.147518 0.130236 0.438574 O\n0.147518 0.369764 0.438574 O\n0.071915 0.750000 0.482747 O\n0.928085 0.250000 0.517253 O\n0.852482 0.630237 0.561427 O\n0.852482 0.869763 0.561427 O\n0.528722 0.750000 0.654910 O\n0.447252 0.132612 0.743476 O\n0.447252 0.367388 0.743476 O\n0.680804 0.250000 0.760654 O\n0.644434 0.541321 0.863258 O\n0.644434 0.958679 0.863258 O\n0.225788 0.250000 0.899650 O\n0.025980 0.750000 0.926690 O\n0.487886 0.750000 0.359728 P\n0.047053 0.250000 0.366922 P\n0.952948 0.750000 0.633079 P\n0.512113 0.250000 0.640271 P\n",
"nsites": 54,
"nelements": 7,
"elements": [
"Al",
"Ca",
"F",
"H",
"Na",
"O",
"P"
],
"chemical_system": "Al-Ca-F-H-Na-O-P",
"density": 3.071956123103795,
"density_atomic": 0.10491725638347653,
"volume": 514.6913087645751,
"volume_molar": 5.739895387646098,
"formula_full": "Na2 Ca4 Al4 P4 H10 O22 F8",
"formula_reduced": "NaCa2Al2P2H5O11F4",
"formula_anonymous": "AB2C2D2E4F5G11",
"formation_energy": -2.72436074873641,
"spacegroup": 11
},
{
"id": "oqmd-1557625",
"created_at": "2022-09-04T15:55:48.767759Z",
"updated_at": "2022-09-04T15:55:48.767785Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.656879 -1.959589 0.000000\n7.656879 1.959589 0.000000\n-1.336678 0.000000 9.623585\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.797197 0.797197 0.323399 Er\n0.202803 0.202803 0.676601 Er\n0.043559 0.043559 0.266924 Gd\n0.956441 0.956441 0.733076 Gd\n0.897910 0.897910 0.192316 N\n0.102090 0.102090 0.807684 N\n0.384041 0.384041 0.049933 Nd\n0.615959 0.615959 0.950067 Nd\n0.535711 0.535711 0.145904 O\n0.464289 0.464289 0.854096 O\n0.211794 0.211794 0.162455 S\n0.788206 0.788206 0.837545 S\n0.630431 0.630431 0.480270 Se\n0.369569 0.369569 0.519730 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Gd",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Er-Gd-N-Nd-O-S-Se",
"density": 7.012455293547109,
"density_atomic": 0.04847796451532296,
"volume": 288.79100308708024,
"volume_molar": 12.422429077228513,
"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.435853377533658,
"spacegroup": 12
},
{
"id": "oqmd-1557345",
"created_at": "2022-09-04T15:55:48.841514Z",
"updated_at": "2022-09-04T15:55:48.841536Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.812775 -1.961392 0.000000\n7.812775 1.961392 0.000000\n-1.269140 0.000000 9.529062\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.097558 0.097558 0.308119 N\n0.902442 0.902442 0.691881 N\n0.951173 0.951173 0.226226 Nd\n0.048827 0.048827 0.773774 Nd\n0.462437 0.462437 0.360183 O\n0.537563 0.537563 0.639817 O\n0.364415 0.364415 0.019651 S\n0.635585 0.635585 0.980349 S\n0.786037 0.786037 0.352226 Se\n0.213963 0.213963 0.647774 Se\n0.197623 0.197623 0.171430 Tb\n0.802377 0.802377 0.828570 Tb\n0.607080 0.607080 0.442672 Y\n0.392920 0.392920 0.557328 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"N",
"Nd",
"O",
"S",
"Se",
"Tb",
"Y"
],
"chemical_system": "N-Nd-O-S-Se-Tb-Y",
"density": 6.062355687778785,
"density_atomic": 0.04793780787572877,
"volume": 292.04506047278585,
"volume_molar": 12.562403303070203,
"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbNdYSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3165220699860405,
"spacegroup": 12
},
{
"id": "oqmd-1557509",
"created_at": "2022-09-04T15:55:48.887052Z",
"updated_at": "2022-09-04T15:55:48.887083Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.723316 -1.916749 0.000000\n7.723316 1.916749 0.000000\n-1.492496 0.000000 9.414499\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.949111 0.949111 0.232668 Dy\n0.050889 0.050889 0.767332 Dy\n0.193226 0.193226 0.165891 Er\n0.806774 0.806774 0.834109 Er\n0.093786 0.093786 0.299580 N\n0.906214 0.906214 0.700420 N\n0.461012 0.461012 0.358387 O\n0.538988 0.538988 0.641613 O\n0.364356 0.364356 0.029144 S\n0.635644 0.635644 0.970856 S\n0.784952 0.784952 0.348061 Se\n0.215048 0.215048 0.651939 Se\n0.607804 0.607804 0.440807 Tb\n0.392196 0.392196 0.559193 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.502865875494748,
"density_atomic": 0.05022636826660529,
"volume": 278.73805101111355,
"volume_molar": 11.989998416835618,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3706418302241365,
"spacegroup": 12
},
{
"id": "oqmd-1557555",
"created_at": "2022-09-04T15:55:49.065475Z",
"updated_at": "2022-09-04T15:55:49.065511Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.574094 -1.932840 0.000000\n7.574094 1.932840 0.000000\n-1.542909 0.000000 9.573544\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050029 0.050029 0.256185 Er\n0.949971 0.949971 0.743815 Er\n0.387553 0.387553 0.053574 Gd\n0.612447 0.612447 0.946426 Gd\n0.904006 0.904006 0.190795 N\n0.095994 0.095994 0.809205 N\n0.539512 0.539512 0.139509 O\n0.460488 0.460488 0.860491 O\n0.214310 0.214310 0.152480 S\n0.785690 0.785690 0.847520 S\n0.629753 0.629753 0.469143 Se\n0.370247 0.370247 0.530857 Se\n0.801871 0.801871 0.323406 Y\n0.198129 0.198129 0.676594 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Gd",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Gd-N-O-S-Se-Y",
"density": 6.569146992628978,
"density_atomic": 0.04994576930986602,
"volume": 280.30402161078564,
"volume_molar": 12.057359098101664,
"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4780987482479446,
"spacegroup": 12
},
{
"id": "oqmd-111375",
"created_at": "2022-09-04T15:33:32.465487Z",
"updated_at": "2022-09-04T15:33:32.465512Z",
"structure_string": "Cd2 Re4 H16 C4 S4 N8 O16\n1.0\n5.857303 0.000000 -0.018851\n0.000000 11.085701 0.000000\n-0.874246 0.000000 10.088046\nC Cd H N O Re S\n4 2 16 8 16 4 4\ndirect\n0.056274 0.467632 0.194584 C\n0.943724 0.967632 0.305416 C\n0.056276 0.032367 0.694584 C\n0.943723 0.532368 0.805417 C\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.100612 0.311310 0.088343 H\n0.828321 0.336366 0.141969 H\n0.390315 0.460083 0.147984 H\n0.315459 0.585513 0.241980 H\n0.684543 0.085514 0.258021 H\n0.609685 0.960084 0.352015 H\n0.171678 0.836366 0.358032 H\n0.899387 0.811310 0.411657 H\n0.100614 0.188690 0.588344 H\n0.828323 0.163633 0.641967 H\n0.390316 0.039917 0.647985 H\n0.315458 0.914488 0.741980 H\n0.684541 0.414487 0.758020 H\n0.609685 0.539916 0.852016 H\n0.171678 0.663634 0.858032 H\n0.899389 0.688689 0.911657 H\n0.990625 0.366063 0.132996 N\n0.271811 0.504733 0.198659 N\n0.728191 0.004732 0.301341 N\n0.009375 0.866064 0.367002 N\n0.990628 0.133936 0.632998 N\n0.271809 0.995268 0.698659 N\n0.728190 0.495268 0.801340 N\n0.009373 0.633936 0.867002 N\n0.509625 0.366533 0.015213 O\n0.664985 0.123407 0.024423 O\n0.807297 0.820512 0.058651 O\n0.442533 0.759521 0.225200 O\n0.557467 0.259520 0.274800 O\n0.192703 0.320512 0.441349 O\n0.335015 0.623407 0.475577 O\n0.490373 0.866534 0.484788 O\n0.509626 0.133466 0.515212 O\n0.664986 0.376594 0.524422 O\n0.807298 0.679487 0.558651 O\n0.442532 0.740479 0.725200 O\n0.557467 0.240479 0.774800 O\n0.192703 0.179487 0.941349 O\n0.335015 0.876594 0.975578 O\n0.490375 0.633466 0.984788 O\n0.520005 0.773549 0.063094 Re\n0.479995 0.273550 0.436906 Re\n0.520004 0.726450 0.563093 Re\n0.479995 0.226450 0.936906 Re\n0.147269 0.052136 0.231844 S\n0.852729 0.552136 0.268157 S\n0.147271 0.447864 0.731844 S\n0.852730 0.947864 0.768156 S\n",
"nsites": 54,
"nelements": 7,
"elements": [
"C",
"Cd",
"H",
"N",
"O",
"Re",
"S"
],
"chemical_system": "C-Cd-H-N-O-Re-S",
"density": 3.879974930144556,
"density_atomic": 0.08246069676716658,
"volume": 654.857430473486,
"volume_molar": 7.303043748228234,
"formula_full": "Cd2 Re4 H16 C4 S4 N8 O16",
"formula_reduced": "CdRe2H8C2S2(NO2)4",
"formula_anonymous": "AB2C2D2E4F8G8",
"formation_energy": -0.948518984218673,
"spacegroup": 14
}
]
}