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=density&page=70",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=density&page=68",
"results": [
{
"id": "oqmd-1344020",
"created_at": "2022-09-04T15:45:56.233544Z",
"updated_at": "2022-09-04T15:45:56.233571Z",
"structure_string": "Li4 S2\n1.0\n4.352882 0.000000 0.000000\n0.000000 5.895232 0.000000\n-1.580230 0.000000 5.638847\nLi S\n4 2\ndirect\n0.486021 0.962896 0.021139 Li\n0.590015 0.558018 0.496032 Li\n0.409985 0.058018 0.503968 Li\n0.513979 0.462896 0.978861 Li\n0.798144 0.229086 0.308747 S\n0.201856 0.729086 0.691253 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.0545523587602348,
"density_atomic": 0.04146514078463539,
"volume": 144.69985839824417,
"volume_molar": 14.523381920438242,
"formula_full": "Li4 S2",
"formula_reduced": "Li2S",
"formula_anonymous": "AB2",
"formation_energy": -1.44149679800445,
"spacegroup": 4
},
{
"id": "oqmd-902131",
"created_at": "2022-09-04T15:38:03.326100Z",
"updated_at": "2022-09-04T15:38:03.326138Z",
"structure_string": "K1 Na1 Be1\n1.0\n0.000000 3.824454 3.824454\n3.824454 0.000000 3.824454\n3.824454 3.824454 0.000000\nBe K Na\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Na\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"K",
"Na"
],
"chemical_system": "Be-K-Na",
"density": 1.0553145171432192,
"density_atomic": 0.026815316919808804,
"volume": 111.87635816393664,
"volume_molar": 22.45783921931339,
"formula_full": "K1 Na1 Be1",
"formula_reduced": "KNaBe",
"formula_anonymous": "ABC",
"formation_energy": 0.979217911382784,
"spacegroup": 216
},
{
"id": "oqmd-1443309",
"created_at": "2022-09-04T15:50:31.258364Z",
"updated_at": "2022-09-04T15:50:31.258392Z",
"structure_string": "Na1 Cl1\n1.0\n4.631885 0.000000 0.000000\n-2.315943 4.011330 0.000000\n0.000000 0.000000 4.946847\nCl Na\n1 1\ndirect\n0.000000 0.000000 0.084763 Cl\n0.000000 0.000000 0.585239 Na\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cl",
"Na"
],
"chemical_system": "Cl-Na",
"density": 1.0558573461566438,
"density_atomic": 0.02175982295694775,
"volume": 91.91251252168001,
"volume_molar": 27.675504400540984,
"formula_full": "Na1 Cl1",
"formula_reduced": "NaCl",
"formula_anonymous": "AB",
"formation_energy": -1.56377434823539,
"spacegroup": 191
},
{
"id": "oqmd-23245",
"created_at": "2022-09-04T14:49:18.095391Z",
"updated_at": "2022-09-04T14:49:18.095421Z",
"structure_string": "Li8 B8 H40 N8\n1.0\n5.052340 0.000000 0.000000\n0.000000 6.853795 0.000000\n0.000000 0.000000 13.369300\nB H Li N\n8 40 8 8\ndirect\n0.537064 0.089650 0.150763 B\n0.962936 0.589650 0.150763 B\n0.037064 0.089650 0.349237 B\n0.462936 0.589650 0.349237 B\n0.537064 0.410350 0.650763 B\n0.962936 0.910350 0.650763 B\n0.037064 0.410350 0.849237 B\n0.462936 0.910350 0.849237 B\n0.749023 0.482424 0.022926 H\n0.750977 0.982424 0.022926 H\n0.868695 0.186513 0.065639 H\n0.631305 0.686513 0.065639 H\n0.350604 0.174269 0.107954 H\n0.149396 0.674269 0.107954 H\n0.048744 0.429894 0.179460 H\n0.451256 0.929894 0.179460 H\n0.591603 0.184586 0.226419 H\n0.908397 0.684586 0.226419 H\n0.091603 0.184586 0.273581 H\n0.408397 0.684586 0.273581 H\n0.548744 0.429894 0.320540 H\n0.951256 0.929894 0.320540 H\n0.850604 0.174269 0.392046 H\n0.649396 0.674269 0.392046 H\n0.368695 0.186513 0.434361 H\n0.131305 0.686513 0.434361 H\n0.249023 0.482424 0.477074 H\n0.250977 0.982424 0.477074 H\n0.749023 0.017576 0.522926 H\n0.750977 0.517576 0.522926 H\n0.868695 0.313487 0.565639 H\n0.631305 0.813487 0.565639 H\n0.350604 0.325731 0.607954 H\n0.149396 0.825731 0.607954 H\n0.048744 0.070106 0.679460 H\n0.451256 0.570106 0.679460 H\n0.591603 0.315414 0.726419 H\n0.908397 0.815414 0.726419 H\n0.091603 0.315414 0.773581 H\n0.408397 0.815414 0.773581 H\n0.548744 0.070106 0.820540 H\n0.951256 0.570106 0.820540 H\n0.850604 0.325731 0.892046 H\n0.649396 0.825731 0.892046 H\n0.368695 0.313487 0.934361 H\n0.131305 0.813487 0.934361 H\n0.249023 0.017576 0.977074 H\n0.250977 0.517576 0.977074 H\n0.428249 0.436831 0.175798 Li\n0.071751 0.936831 0.175798 Li\n0.928249 0.436831 0.324202 Li\n0.571751 0.936831 0.324202 Li\n0.428249 0.063169 0.675798 Li\n0.071751 0.563169 0.675798 Li\n0.928249 0.063169 0.824202 Li\n0.571751 0.563169 0.824202 Li\n0.788605 0.056385 0.087996 N\n0.711395 0.556385 0.087996 N\n0.288605 0.056385 0.412004 N\n0.211395 0.556385 0.412004 N\n0.788605 0.443615 0.587996 N\n0.711395 0.943615 0.587996 N\n0.288605 0.443615 0.912004 N\n0.211395 0.943615 0.912004 N\n",
"nsites": 64,
"nelements": 4,
"elements": [
"B",
"H",
"Li",
"N"
],
"chemical_system": "B-H-Li-N",
"density": 1.0559313215182817,
"density_atomic": 0.1382444248287628,
"volume": 462.94814477526984,
"volume_molar": 4.356154519402396,
"formula_full": "Li8 B8 H40 N8",
"formula_reduced": "LiBH5N",
"formula_anonymous": "ABCD5",
"formation_energy": -0.4249409829705479,
"spacegroup": 61
},
{
"id": "oqmd-348539",
"created_at": "2022-09-04T14:51:13.083160Z",
"updated_at": "2022-09-04T14:51:13.083189Z",
"structure_string": "K3 Ca1\n1.0\n6.277786 0.000000 0.000000\n0.000000 6.277786 0.000000\n0.000000 0.000000 6.277786\nCa K\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"K"
],
"chemical_system": "Ca-K",
"density": 1.0562324934148388,
"density_atomic": 0.016167410660483685,
"volume": 247.41129448618403,
"volume_molar": 37.2486410252403,
"formula_full": "K3 Ca1",
"formula_reduced": "K3Ca",
"formula_anonymous": "AB3",
"formation_energy": 0.15365168375,
"spacegroup": 221
},
{
"id": "oqmd-1521826",
"created_at": "2022-09-04T15:54:11.533699Z",
"updated_at": "2022-09-04T15:54:11.533736Z",
"structure_string": "Na1 H3\n1.0\n1.663606 0.960483 4.261481\n-1.663606 0.960483 4.261481\n0.000000 -1.920966 4.261481\nH Na\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.081447 0.081447 0.081447 H\n0.918553 0.918553 0.918553 H\n0.500000 0.500000 0.500000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Na"
],
"chemical_system": "H-Na",
"density": 1.057297996166054,
"density_atomic": 0.09790571061677474,
"volume": 40.85563523109404,
"volume_molar": 6.150959655021587,
"formula_full": "Na1 H3",
"formula_reduced": "NaH3",
"formula_anonymous": "AB3",
"formation_energy": 0.0618534381489568,
"spacegroup": 166
},
{
"id": "oqmd-1240165",
"created_at": "2022-09-04T15:40:51.897927Z",
"updated_at": "2022-09-04T15:40:51.897945Z",
"structure_string": "Al4 Sb2\n1.0\n4.603256 2.657691 7.517085\n-4.603256 2.657691 7.517085\n0.000000 -5.315382 7.517085\nAl Sb\n4 2\ndirect\n0.125000 0.125000 0.125000 Al\n0.625001 0.125000 0.125000 Al\n0.125000 0.625001 0.125000 Al\n0.125000 0.125000 0.625001 Al\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Sb"
],
"chemical_system": "Al-Sb",
"density": 1.0576392704247692,
"density_atomic": 0.01087378959580855,
"volume": 551.7855525099346,
"volume_molar": 55.38217110915329,
"formula_full": "Al4 Sb2",
"formula_reduced": "Al2Sb",
"formula_anonymous": "AB2",
"formation_energy": 1.30690347833333,
"spacegroup": 227
},
{
"id": "oqmd-4144",
"created_at": "2022-09-04T14:49:28.040268Z",
"updated_at": "2022-09-04T14:49:28.040295Z",
"structure_string": "Li4 Al4 H16\n1.0\n4.590772 0.000000 0.016388\n0.000000 7.414452 0.000000\n-2.845891 0.000000 6.992298\nAl H Li\n4 16 4\ndirect\n0.889048 0.802817 0.075972 Al\n0.110953 0.302818 0.424028 Al\n0.889047 0.697182 0.575971 Al\n0.110952 0.197182 0.924028 Al\n0.663702 0.624134 0.029490 H\n0.215293 0.077465 0.116702 H\n0.253837 0.744725 0.141986 H\n0.155052 0.409808 0.249770 H\n0.844948 0.909808 0.250229 H\n0.746161 0.244726 0.358013 H\n0.784707 0.577465 0.383297 H\n0.336297 0.124135 0.470510 H\n0.663703 0.875866 0.529490 H\n0.215290 0.422536 0.616702 H\n0.253838 0.755275 0.641986 H\n0.155051 0.090191 0.749771 H\n0.844947 0.590192 0.750229 H\n0.746162 0.255274 0.858013 H\n0.784707 0.922536 0.883298 H\n0.336298 0.375866 0.970511 H\n0.444133 0.524550 0.178851 Li\n0.555868 0.024549 0.321148 Li\n0.444134 0.975449 0.678851 Li\n0.555867 0.475450 0.821148 Li\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"H",
"Li"
],
"chemical_system": "Al-H-Li",
"density": 1.0576812735445933,
"density_atomic": 0.1006922390187883,
"volume": 238.35004796667405,
"volume_molar": 5.98073974586693,
"formula_full": "Li4 Al4 H16",
"formula_reduced": "LiAlH4",
"formula_anonymous": "ABC4",
"formation_energy": -0.137884686872784,
"spacegroup": 14
},
{
"id": "oqmd-1443396",
"created_at": "2022-09-04T15:50:32.770523Z",
"updated_at": "2022-09-04T15:50:32.770550Z",
"structure_string": "Zr1 S2\n1.0\n1.788576 -3.093372 0.000000\n1.788576 3.093372 0.000000\n-1.284553 0.000000 21.971005\nS Zr\n2 1\ndirect\n0.762501 0.289108 0.071880 S\n0.710892 0.237499 0.928120 S\n0.070400 0.929602 0.000000 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"S",
"Zr"
],
"chemical_system": "S-Zr",
"density": 1.0610896286530354,
"density_atomic": 0.012339620038620762,
"volume": 243.11931733801742,
"volume_molar": 48.803291682821644,
"formula_full": "Zr1 S2",
"formula_reduced": "ZrS2",
"formula_anonymous": "AB2",
"formation_energy": -1.5271130760089,
"spacegroup": 42
},
{
"id": "oqmd-1238229",
"created_at": "2022-09-04T15:40:44.688142Z",
"updated_at": "2022-09-04T15:40:44.688164Z",
"structure_string": "Na4 Ag2\n1.0\n4.398785 2.539639 7.183185\n-4.398785 2.539639 7.183185\n0.000000 -5.079279 7.183185\nAg Na\n2 4\ndirect\n0.500000 0.500000 0.500000 Ag\n0.750002 0.750002 0.750002 Ag\n0.625000 0.625000 0.125000 Na\n0.625000 0.125000 0.625000 Na\n0.125000 0.625000 0.625000 Na\n0.625000 0.625000 0.625000 Na\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"Na"
],
"chemical_system": "Ag-Na",
"density": 1.061199722648859,
"density_atomic": 0.012461725143877622,
"volume": 481.474268668794,
"volume_molar": 48.32509697069225,
"formula_full": "Na4 Ag2",
"formula_reduced": "Na2Ag",
"formula_anonymous": "AB2",
"formation_energy": 0.453379943598901,
"spacegroup": 227
},
{
"id": "oqmd-23776",
"created_at": "2022-09-04T15:15:47.160176Z",
"updated_at": "2022-09-04T15:15:47.160204Z",
"structure_string": "Na2 B6 H16\n1.0\n7.452112 0.000000 0.000000\n0.000000 4.527617 0.000000\n0.000000 0.000000 5.888127\nB H Na\n6 16 2\ndirect\n0.118387 0.500000 0.246752 B\n0.881613 0.500000 0.246752 B\n0.499999 0.000000 0.491589 B\n0.000000 0.500000 0.508411 B\n0.381613 0.000000 0.753246 B\n0.618387 0.000000 0.753246 B\n0.184269 0.275467 0.171649 H\n0.815731 0.275467 0.171649 H\n0.184269 0.724536 0.171649 H\n0.815731 0.724536 0.171649 H\n0.499999 0.226013 0.383776 H\n0.499999 0.773986 0.383776 H\n0.185406 0.500000 0.445082 H\n0.814595 0.500000 0.445082 H\n0.314594 0.000000 0.554918 H\n0.685406 0.000000 0.554918 H\n0.000000 0.273987 0.616223 H\n0.000000 0.726013 0.616223 H\n0.315732 0.224535 0.828352 H\n0.684268 0.224535 0.828352 H\n0.315732 0.775465 0.828352 H\n0.684268 0.775465 0.828352 H\n0.499999 0.500000 0.057657 Na\n0.000000 0.000000 0.942344 Na\n",
"nsites": 24,
"nelements": 3,
"elements": [
"B",
"H",
"Na"
],
"chemical_system": "B-H-Na",
"density": 1.0612869226604167,
"density_atomic": 0.12080503005672467,
"volume": 198.66722427642844,
"volume_molar": 4.9850082874630885,
"formula_full": "Na2 B6 H16",
"formula_reduced": "NaB3H8",
"formula_anonymous": "AB3C8",
"formation_energy": -0.187745065277088,
"spacegroup": 59
},
{
"id": "oqmd-1240026",
"created_at": "2022-09-04T15:40:53.884786Z",
"updated_at": "2022-09-04T15:40:53.884801Z",
"structure_string": "K2 Dy4\n1.0\n5.860696 3.383674 9.570476\n-5.860696 3.383674 9.570476\n0.000000 -6.767349 9.570476\nDy K\n4 2\ndirect\n0.375000 0.375000 0.375000 Dy\n0.875001 0.375000 0.375000 Dy\n0.375000 0.875001 0.375000 Dy\n0.375000 0.375000 0.875001 Dy\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"K"
],
"chemical_system": "Dy-K",
"density": 1.0618794193193228,
"density_atomic": 0.005269006201482891,
"volume": 1138.7346627740503,
"volume_molar": 114.29367379194105,
"formula_full": "K2 Dy4",
"formula_reduced": "KDy2",
"formula_anonymous": "AB2",
"formation_energy": 3.49420355722222,
"spacegroup": 227
}
]
}