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=-chemical_system&page=100",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=98",
"results": [
{
"id": "oqmd-1214761",
"created_at": "2022-09-04T15:39:04.472215Z",
"updated_at": "2022-09-04T15:39:04.472253Z",
"structure_string": "V4\n1.0\n-2.175643 -4.037373 0.000000\n-2.175643 4.037373 0.000000\n0.000000 0.000000 -2.954132\nV\n4\ndirect\n0.138236 0.861763 0.001120 V\n0.638235 0.361763 0.498881 V\n0.361763 0.638235 0.501118 V\n0.861763 0.138236 0.998882 V\n",
"nsites": 4,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.51980215002503,
"density_atomic": 0.07707501013588113,
"volume": 51.89749560782555,
"volume_molar": 7.81335059104518,
"formula_full": "V4",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.295870042500001,
"spacegroup": 69
},
{
"id": "oqmd-1215117",
"created_at": "2022-09-04T15:39:03.942334Z",
"updated_at": "2022-09-04T15:39:03.942349Z",
"structure_string": "V4\n1.0\n0.000000 0.000000 2.881483\n4.184775 0.000000 0.000000\n2.092388 4.470968 0.000000\nV\n4\ndirect\n0.000920 0.364170 0.271661 V\n0.499080 0.864170 0.271661 V\n0.500919 0.135831 0.728339 V\n0.999080 0.635832 0.728339 V\n",
"nsites": 4,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.276117733367202,
"density_atomic": 0.07419425111104072,
"volume": 53.91253284588739,
"volume_molar": 8.116721538151431,
"formula_full": "V4",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.250173765000001,
"spacegroup": 69
},
{
"id": "oqmd-1214850",
"created_at": "2022-09-04T15:39:05.671306Z",
"updated_at": "2022-09-04T15:39:05.671322Z",
"structure_string": "V29\n1.0\n4.593810 4.593810 -4.593810\n4.593810 -4.593810 4.593810\n-4.593810 -4.593810 -4.593810\nV\n29\ndirect\n0.000000 0.000000 0.000000 V\n0.383455 0.000000 0.000000 V\n0.607439 0.324909 0.000000 V\n0.000000 0.383455 0.000000 V\n0.324909 0.607439 0.000000 V\n0.812775 0.632602 0.000000 V\n0.632602 0.812775 0.000000 V\n0.367398 0.367398 0.180173 V\n0.819827 0.187225 0.187225 V\n0.187225 0.819827 0.187225 V\n0.675091 0.675091 0.282530 V\n0.607439 0.000000 0.324909 V\n0.000000 0.607439 0.324909 V\n0.367398 0.180173 0.367398 V\n0.180173 0.367398 0.367398 V\n0.000000 0.000000 0.383455 V\n0.717470 0.392561 0.392561 V\n0.392561 0.717470 0.392561 V\n0.324909 0.000000 0.607439 V\n0.000000 0.324909 0.607439 V\n0.616545 0.616545 0.616545 V\n0.812775 0.000000 0.632602 V\n0.000000 0.812775 0.632602 V\n0.675091 0.282530 0.675091 V\n0.282530 0.675091 0.675091 V\n0.392561 0.392561 0.717470 V\n0.632602 0.000000 0.812775 V\n0.000000 0.632602 0.812775 V\n0.187225 0.187225 0.819827 V\n",
"nsites": 29,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.326153804147013,
"density_atomic": 0.07478576149337629,
"volume": 387.7743493000135,
"volume_molar": 8.052523153800307,
"formula_full": "V29",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.11560561655172,
"spacegroup": 217
},
{
"id": "oqmd-1216008",
"created_at": "2022-09-04T15:39:06.934020Z",
"updated_at": "2022-09-04T15:39:06.934046Z",
"structure_string": "V4\n1.0\n4.177801 -0.000000 0.000000\n-2.088901 3.618084 0.000000\n0.000000 0.000000 4.004699\nV\n4\ndirect\n0.000000 0.000000 0.249999 V\n0.333334 0.666668 0.249999 V\n0.000000 0.000000 0.749999 V\n0.666665 0.333331 0.749999 V\n",
"nsites": 4,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 5.5896490758436865,
"density_atomic": 0.06607903879031309,
"volume": 60.53356818178147,
"volume_molar": 9.113541707393633,
"formula_full": "V4",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 1.042047965,
"spacegroup": 194
},
{
"id": "oqmd-1215652",
"created_at": "2022-09-04T15:39:05.154324Z",
"updated_at": "2022-09-04T15:39:05.154341Z",
"structure_string": "V2\n1.0\n0.000000 0.000000 -2.571081\n-2.292996 -2.292996 1.285540\n-2.292996 2.292996 -1.285540\nV\n2\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.500001 0.500001 V\n",
"nsites": 2,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.257465633039108,
"density_atomic": 0.0739737519626367,
"volume": 27.036617001800547,
"volume_molar": 8.140915662952604,
"formula_full": "V2",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.437567345000001,
"spacegroup": 141
},
{
"id": "oqmd-1215474",
"created_at": "2022-09-04T15:39:04.707621Z",
"updated_at": "2022-09-04T15:39:04.707639Z",
"structure_string": "V4\n1.0\n2.622161 0.000000 0.000000\n-1.311080 2.270857 0.000000\n0.000000 0.000000 9.017257\nV\n4\ndirect\n0.000000 0.000000 0.000000 V\n0.333332 0.666664 0.250000 V\n0.000000 0.000000 0.500000 V\n0.666666 0.333332 0.750000 V\n",
"nsites": 4,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.3016928215189125,
"density_atomic": 0.07449659160131336,
"volume": 53.69373167308074,
"volume_molar": 8.083780251624063,
"formula_full": "V4",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.248905975000001,
"spacegroup": 194
},
{
"id": "oqmd-1215741",
"created_at": "2022-09-04T15:39:05.921170Z",
"updated_at": "2022-09-04T15:39:05.921198Z",
"structure_string": "V1\n1.0\n-2.452733 0.000000 0.000000\n0.000000 -2.452733 0.000000\n1.226367 1.226367 2.177533\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.457367928675188,
"density_atomic": 0.07633693279355772,
"volume": 13.09981896579938,
"volume_molar": 7.88889537425615,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.0911044900000011,
"spacegroup": 139
},
{
"id": "oqmd-758254",
"created_at": "2022-09-04T15:24:25.147450Z",
"updated_at": "2022-09-04T15:24:25.147473Z",
"structure_string": "Zr6 U6\n1.0\n8.336690 -1.646251 0.000000\n-0.055324 6.261445 0.000000\n0.000000 0.000000 5.236643\nU Zr\n6 6\ndirect\n0.235802 0.329972 0.000000 U\n0.895787 0.518202 0.000000 U\n0.186429 0.718566 0.000000 U\n0.035838 0.337489 0.500002 U\n0.326464 0.537439 0.500002 U\n0.986423 0.725936 0.500002 U\n0.903953 0.031017 0.000000 Zr\n0.538423 0.134370 0.000000 Zr\n0.571388 0.659094 0.000000 Zr\n0.318125 0.024600 0.500002 Zr\n0.650843 0.396021 0.500002 Zr\n0.683728 0.920602 0.500002 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 12.021736125314883,
"density_atomic": 0.043976277780653134,
"volume": 272.8743905942686,
"volume_molar": 13.694066582982547,
"formula_full": "Zr6 U6",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"formation_energy": 0.163668813333334,
"spacegroup": 11
},
{
"id": "oqmd-758278",
"created_at": "2022-09-04T15:24:21.676380Z",
"updated_at": "2022-09-04T15:24:21.676409Z",
"structure_string": "Zr6 U6\n1.0\n5.899700 -0.110847 0.000000\n-0.176461 9.128232 0.000000\n0.000000 0.000000 4.942632\nU Zr\n6 6\ndirect\n0.143938 0.053060 0.000000 U\n0.582635 0.123030 0.000000 U\n0.795237 0.215359 0.500001 U\n0.764860 0.493519 0.500001 U\n0.260565 0.668854 0.500001 U\n0.298743 0.947192 0.500001 U\n0.012469 0.363433 0.000000 Zr\n0.513619 0.471923 0.000000 Zr\n0.008843 0.696242 0.000000 Zr\n0.513686 0.798827 0.000000 Zr\n0.299579 0.295687 0.500001 Zr\n0.805766 0.872874 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 12.32857449369144,
"density_atomic": 0.04509871210967451,
"volume": 266.0829863792447,
"volume_molar": 13.353243315141453,
"formula_full": "Zr6 U6",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"formation_energy": 0.196137635833333,
"spacegroup": 6
},
{
"id": "oqmd-758279",
"created_at": "2022-09-04T15:21:52.910831Z",
"updated_at": "2022-09-04T15:21:52.910849Z",
"structure_string": "Zr2 U2\n1.0\n5.970784 0.000000 0.000000\n0.000000 2.964728 0.000000\n0.000000 0.000000 4.965196\nU Zr\n2 2\ndirect\n0.562522 0.499999 0.000000 U\n0.770812 0.499999 0.500000 U\n0.038891 0.000000 0.000000 Zr\n0.294444 0.000000 0.500000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 12.441023284847102,
"density_atomic": 0.04551005696239898,
"volume": 87.892660809123,
"volume_molar": 13.232549379086855,
"formula_full": "Zr2 U2",
"formula_reduced": "ZrU",
"formula_anonymous": "AB",
"formation_energy": 0.192677719999999,
"spacegroup": 51
},
{
"id": "oqmd-758274",
"created_at": "2022-09-04T15:23:27.563068Z",
"updated_at": "2022-09-04T15:23:27.563087Z",
"structure_string": "Zr6 U2\n1.0\n5.319031 -3.070884 0.000000\n0.258701 6.589919 0.000000\n0.000000 0.000000 5.100850\nU Zr\n2 6\ndirect\n0.967625 0.435222 0.000000 U\n0.865723 0.231429 0.499999 U\n0.489564 0.479099 0.000000 Zr\n0.481529 0.962857 0.000000 Zr\n0.981338 0.962861 0.000000 Zr\n0.343786 0.187553 0.499999 Zr\n0.852011 0.703786 0.499999 Zr\n0.351818 0.703792 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 9.294090349003286,
"density_atomic": 0.043752371155405964,
"volume": 182.84723293246094,
"volume_molar": 13.764147178697343,
"formula_full": "Zr6 U2",
"formula_reduced": "Zr3U",
"formula_anonymous": "AB3",
"formation_energy": 0.148792765,
"spacegroup": 63
},
{
"id": "oqmd-344871",
"created_at": "2022-09-04T15:15:59.511616Z",
"updated_at": "2022-09-04T15:15:59.511651Z",
"structure_string": "Zr1 U3\n1.0\n4.469359 0.000000 0.000000\n0.000000 4.469359 0.000000\n0.000000 0.000000 4.469359\nU Zr\n3 1\ndirect\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Zr"
],
"chemical_system": "U-Zr",
"density": 14.978794454109794,
"density_atomic": 0.04480477176750358,
"volume": 89.27620523895084,
"volume_molar": 13.440846861690284,
"formula_full": "Zr1 U3",
"formula_reduced": "ZrU3",
"formula_anonymous": "AB3",
"formation_energy": 0.44756875375,
"spacegroup": 221
}
]
}