HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3602",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3600",
"results": [
{
"id": "jvasp-46536",
"created_at": "2022-09-04T14:38:14.666777Z",
"updated_at": "2022-09-04T14:38:14.666805Z",
"structure_string": "Li4 Cr2 O6\n1.0\n0.000000 5.520681 0.000000\n-4.723611 2.760341 0.000000\n0.000000 0.000000 4.912648\nLi Cr O\n4 2 6\ndirect\n0.835462 0.658994 0.521688 Li\n0.505544 0.658994 0.021687 Li\n0.494456 0.341006 0.521688 Li\n0.164538 0.341006 0.021687 Li\n0.822206 0.000000 0.019135 Cr\n0.177794 0.000000 0.519135 Cr\n0.828103 0.692640 0.920608 O\n0.479258 0.692640 0.420607 O\n0.520741 0.307360 0.920608 O\n0.171897 0.307360 0.420607 O\n0.862765 0.000000 0.393276 O\n0.137235 0.000000 0.893276 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.9520928661952683,
"density_atomic": 0.09366963336337811,
"volume": 128.1098213916104,
"volume_molar": 6.429128142989476,
"formula_full": "Li4 Cr2 O6",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1143196500000005,
"spacegroup": 36
},
{
"id": "jvasp-19665",
"created_at": "2022-09-04T14:38:14.667030Z",
"updated_at": "2022-09-04T14:38:14.667048Z",
"structure_string": "Li2 Ga2\n1.0\n3.811105 -0.000000 2.200342\n1.270369 3.593144 2.200342\n-0.000000 -0.000000 4.400685\nLi Ga\n2 2\ndirect\n0.625000 0.624999 0.624999 Li\n0.375000 0.375000 0.374999 Li\n0.125000 0.125000 0.125000 Ga\n0.875000 0.874999 0.874999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 4.224980886740803,
"density_atomic": 0.06637647296529124,
"volume": 60.26231616873692,
"volume_molar": 9.07270376229394,
"formula_full": "Li2 Ga2",
"formula_reduced": "LiGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.052055,
"spacegroup": 227
},
{
"id": "jvasp-11688",
"created_at": "2022-09-04T14:38:14.667265Z",
"updated_at": "2022-09-04T14:38:14.667280Z",
"structure_string": "Na4 Mo2 O8\n1.0\n5.582075 0.000000 3.222813\n1.860691 5.262831 3.222813\n-0.000000 -0.000000 6.445625\nNa Mo O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n-0.000000 0.500000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Na\n0.375000 0.375000 0.374999 Mo\n0.625000 0.625000 0.624999 Mo\n0.738085 0.738084 0.738083 O\n0.261916 0.261916 0.714254 O\n0.261916 0.714254 0.261915 O\n0.714255 0.261916 0.261915 O\n0.738085 0.285746 0.738083 O\n0.285746 0.738084 0.738083 O\n0.261916 0.261916 0.261915 O\n0.738085 0.738084 0.285745 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O",
"density": 3.611531949056346,
"density_atomic": 0.07393463089689971,
"volume": 189.35646029697108,
"volume_molar": 8.145223269455082,
"formula_full": "Na4 Mo2 O8",
"formula_reduced": "Na2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9932182714285716,
"spacegroup": 227
},
{
"id": "jvasp-53295",
"created_at": "2022-09-04T14:38:14.669376Z",
"updated_at": "2022-09-04T14:38:14.669404Z",
"structure_string": "Mn1 Sb1 Pt1\n1.0\n3.755912 0.000005 2.168489\n1.251976 3.541101 2.168488\n0.000010 0.000006 4.336959\nMn Sb Pt\n1 1 1\ndirect\n0.250001 0.249999 0.249999 Mn\n0.999999 -0.000001 0.000001 Sb\n0.500000 0.500000 0.500002 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"Pt"
],
"chemical_system": "Mn-Pt-Sb",
"density": 10.702851469058242,
"density_atomic": 0.05200956767746715,
"volume": 57.6816946182718,
"volume_molar": 11.578909475552242,
"formula_full": "Mn1 Sb1 Pt1",
"formula_reduced": "MnSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4951082471264368,
"spacegroup": 216
},
{
"id": "jvasp-11821",
"created_at": "2022-09-04T14:38:14.672645Z",
"updated_at": "2022-09-04T14:38:14.672663Z",
"structure_string": "V2 Sb4 O10\n1.0\n4.682554 0.000000 -1.247466\n-0.110344 5.488084 -0.414191\n-0.044339 0.100502 9.245638\nV Sb O\n2 4 10\ndirect\n0.635293 0.250000 -0.000000 V\n0.364707 0.750000 -0.000000 V\n0.112873 0.341034 0.677023 Sb\n0.435851 0.158965 0.322977 Sb\n0.887126 0.658965 0.322977 Sb\n0.564149 0.841034 0.677023 Sb\n0.392983 0.153539 0.585080 O\n0.807903 0.346461 0.414920 O\n0.607017 0.846460 0.414920 O\n0.192097 0.653538 0.585080 O\n0.434468 0.484548 0.856939 O\n0.577528 0.015452 0.143061 O\n0.028414 0.750000 0.000000 O\n0.971586 0.250000 -0.000000 O\n0.422472 0.984547 0.856939 O\n0.565533 0.515451 0.143061 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 5.236193296369959,
"density_atomic": 0.06736787780372021,
"volume": 237.50191518006292,
"volume_molar": 8.9391872748995,
"formula_full": "V2 Sb4 O10",
"formula_reduced": "VSb2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6271329875,
"spacegroup": 15
},
{
"id": "jvasp-57297",
"created_at": "2022-09-04T14:38:14.674531Z",
"updated_at": "2022-09-04T14:38:14.674558Z",
"structure_string": "Er4 Mo4 O16 F4\n1.0\n0.000000 5.183504 -0.002452\n12.224342 0.000000 0.000000\n0.000000 -2.617513 -6.088565\nEr Mo O F\n4 4 16 4\ndirect\n0.360891 0.050501 0.199667 Er\n0.360891 0.449499 0.699667 Er\n0.639109 0.949499 0.800334 Er\n0.639109 0.550501 0.300333 Er\n0.076810 0.144228 0.628698 Mo\n0.076810 0.355772 0.128698 Mo\n0.923190 0.644228 0.871303 Mo\n0.923190 0.855772 0.371302 Mo\n0.241552 0.654349 0.096095 O\n0.189755 0.279087 0.705256 O\n0.002270 0.069151 0.837175 O\n0.758448 0.154349 0.403905 O\n0.002270 0.430849 0.337175 O\n0.997730 0.569150 0.662826 O\n0.997730 0.930849 0.162825 O\n0.810245 0.779087 0.794744 O\n0.308945 0.065214 0.537269 O\n0.189755 0.220913 0.205256 O\n0.758448 0.345651 0.903906 O\n0.308944 0.434786 0.037268 O\n0.810245 0.720913 0.294744 O\n0.241552 0.845651 0.596095 O\n0.691055 0.934786 0.462732 O\n0.691056 0.565214 0.962732 O\n0.545112 0.099444 0.963566 F\n0.545111 0.400556 0.463565 F\n0.454888 0.900556 0.036435 F\n0.454888 0.599444 0.536435 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Er",
"Mo",
"O",
"F"
],
"chemical_system": "Er-F-Mo-O",
"density": 5.959059163751338,
"density_atomic": 0.07256143194840887,
"volume": 385.87992612808387,
"volume_molar": 8.299368684291867,
"formula_full": "Er4 Mo4 O16 F4",
"formula_reduced": "ErMoO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.308620026071429,
"spacegroup": 14
},
{
"id": "jvasp-56665",
"created_at": "2022-09-04T14:38:14.677377Z",
"updated_at": "2022-09-04T14:38:14.677405Z",
"structure_string": "Mo2 Pb6 Cl4 O10\n1.0\n5.632647 0.000000 0.000000\n-2.816324 6.552494 -0.000000\n0.000000 0.000000 11.130250\nMo Pb Cl O\n2 6 4 10\ndirect\n0.233735 0.467470 0.250000 Mo\n0.766265 0.532530 0.750000 Mo\n0.349456 0.698911 0.532809 Pb\n0.650544 0.301089 0.032809 Pb\n0.349456 0.698911 0.967191 Pb\n0.100802 0.201604 0.750000 Pb\n0.650544 0.301089 0.467191 Pb\n0.899199 0.798395 0.250000 Pb\n0.000000 0.000000 0.000000 Cl\n0.517840 0.035680 0.750000 Cl\n0.482161 0.964319 0.250000 Cl\n0.000000 0.000000 0.500000 Cl\n0.103722 0.207444 0.250000 O\n0.037768 0.541645 0.368839 O\n0.496124 0.458354 0.631161 O\n0.962232 0.458354 0.868839 O\n0.962232 0.458354 0.631161 O\n0.896278 0.792556 0.750000 O\n0.496124 0.458354 0.868839 O\n0.037768 0.541645 0.131161 O\n0.503876 0.541645 0.368839 O\n0.503876 0.541645 0.131161 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mo",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Pb",
"density": 7.0209572093805175,
"density_atomic": 0.05355482381616471,
"volume": 410.7939944965263,
"volume_molar": 11.244814810094304,
"formula_full": "Mo2 Pb6 Cl4 O10",
"formula_reduced": "MoPb3Cl2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 1.935434908636364,
"spacegroup": 63
},
{
"id": "jvasp-9184",
"created_at": "2022-09-04T14:38:14.678772Z",
"updated_at": "2022-09-04T14:38:14.678791Z",
"structure_string": "Ba2 Y1 Cr3 O8\n1.0\n3.930733 0.000000 0.000000\n-0.000000 3.930733 0.000000\n-0.000000 0.000000 11.455259\nBa Y Cr O\n2 1 3 8\ndirect\n0.500000 0.500000 0.168999 Ba\n0.500000 0.500000 0.830995 Ba\n0.500000 0.500000 0.500001 Y\n0.000000 0.000000 0.342745 Cr\n0.000000 0.000000 0.999998 Cr\n0.000000 0.000000 0.657256 Cr\n0.000000 0.500000 0.377159 O\n0.500000 0.000000 0.377159 O\n0.500000 0.000000 0.999997 O\n0.000000 0.000000 0.176563 O\n0.000000 0.500000 0.622845 O\n0.500000 0.000000 0.622845 O\n0.000000 0.000000 0.823435 O\n0.000000 0.500000 0.999997 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-O-Y",
"density": 6.075275019337105,
"density_atomic": 0.0790999179726337,
"volume": 176.9913339839821,
"volume_molar": 7.613333761083656,
"formula_full": "Ba2 Y1 Cr3 O8",
"formula_reduced": "Ba2YCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.993893399285714,
"spacegroup": 123
},
{
"id": "jvasp-17976",
"created_at": "2022-09-04T14:38:14.679649Z",
"updated_at": "2022-09-04T14:38:14.679679Z",
"structure_string": "Sr1 Mn2 Ge2\n1.0\n3.813848 -0.000000 -1.398466\n-0.512791 3.779218 -1.398466\n0.191913 0.219712 6.423110\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.633941 0.633941 0.267880 Ge\n0.366059 0.366059 0.732118 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sr",
"density": 5.996410686886094,
"density_atomic": 0.0526746617940528,
"volume": 94.92229906570604,
"volume_molar": 11.432708924729965,
"formula_full": "Sr1 Mn2 Ge2",
"formula_reduced": "Sr(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.965328538551724,
"spacegroup": 139
},
{
"id": "jvasp-24834",
"created_at": "2022-09-04T14:38:14.680795Z",
"updated_at": "2022-09-04T14:38:14.680811Z",
"structure_string": "Si12 P4 H36\n1.0\n0.000000 5.997034 -0.078879\n12.662064 0.000000 0.000000\n0.000000 -0.729291 -9.438724\nSi P H\n12 4 36\ndirect\n0.888888 0.887743 0.664150 Si\n0.701091 0.954435 0.196514 Si\n0.701091 0.545565 0.696514 Si\n0.298908 0.045565 0.803485 Si\n0.289823 0.719902 0.379738 Si\n0.710176 0.219902 0.120262 Si\n0.298908 0.454435 0.303485 Si\n0.289823 0.780097 0.879738 Si\n0.888888 0.612256 0.164151 Si\n0.111112 0.112256 0.335849 Si\n0.111112 0.387743 0.835849 Si\n0.710176 0.280097 0.620262 Si\n0.269024 0.888764 0.687637 P\n0.730975 0.388764 0.812362 P\n0.730975 0.111236 0.312363 P\n0.269024 0.611236 0.187637 P\n0.533991 0.441885 0.364772 H\n0.141171 0.054535 0.919621 H\n0.248726 0.368539 0.197377 H\n0.751274 0.868539 0.302622 H\n0.751274 0.631460 0.802622 H\n0.248726 0.131461 0.697377 H\n0.466008 0.941885 0.135228 H\n0.471347 0.228427 0.066347 H\n0.533991 0.058115 0.864771 H\n0.151206 0.680075 0.494710 H\n0.848794 0.180075 0.005290 H\n0.848794 0.319925 0.505290 H\n0.151206 0.819924 0.994710 H\n0.528652 0.728427 0.433653 H\n0.858829 0.554535 0.580378 H\n0.466008 0.558115 0.635228 H\n0.858829 0.945465 0.080379 H\n0.208419 0.393119 0.694099 H\n0.204670 0.825609 0.329730 H\n0.808889 0.980583 0.576876 H\n0.191111 0.480583 0.923124 H\n0.191111 0.019417 0.423124 H\n0.808889 0.519417 0.076876 H\n0.817073 0.787388 0.591399 H\n0.182926 0.287388 0.908601 H\n0.182926 0.212612 0.408601 H\n0.817073 0.712612 0.091399 H\n0.791580 0.893119 0.805900 H\n0.471348 0.271573 0.566347 H\n0.208419 0.106881 0.194100 H\n0.791580 0.606881 0.305900 H\n0.204670 0.674390 0.829730 H\n0.795329 0.174391 0.670270 H\n0.795329 0.325609 0.170270 H\n0.141171 0.445465 0.419621 H\n0.528652 0.771573 0.933653 H\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Si",
"P",
"H"
],
"chemical_system": "H-P-Si",
"density": 1.15077598928981,
"density_atomic": 0.07247828385727682,
"volume": 717.4562811448135,
"volume_molar": 8.308889835000386,
"formula_full": "Si12 P4 H36",
"formula_reduced": "Si3PH9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.3557362538461537,
"spacegroup": 14
},
{
"id": "jvasp-12878",
"created_at": "2022-09-04T14:38:14.681626Z",
"updated_at": "2022-09-04T14:38:14.681643Z",
"structure_string": "Cu2 B2 Se4\n1.0\n5.339934 -0.000053 -0.000037\n-0.000052 5.340032 -0.000015\n-2.669975 -2.670004 4.843400\nCu B Se\n2 2 4\ndirect\n0.000021 0.000031 0.000064 Cu\n0.250026 0.750017 0.500034 Cu\n0.499970 0.499976 -0.000050 B\n0.749983 0.249983 0.499959 B\n0.826403 0.874975 0.250000 Se\n0.423595 0.375014 0.249994 Se\n0.625021 0.173599 0.749998 Se\n0.124978 0.576408 0.749997 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"B",
"Se"
],
"chemical_system": "B-Cu-Se",
"density": 5.585442001125927,
"density_atomic": 0.05792449179078499,
"volume": 138.11083623995978,
"volume_molar": 10.396536203979338,
"formula_full": "Cu2 B2 Se4",
"formula_reduced": "CuBSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6765674416666667,
"spacegroup": 122
},
{
"id": "jvasp-63964",
"created_at": "2022-09-04T14:38:14.682015Z",
"updated_at": "2022-09-04T14:38:14.682040Z",
"structure_string": "Ba4 Ta1 Sb1\n1.0\n0.000000 4.922560 4.922560\n4.922560 0.000000 4.922560\n4.922560 4.922560 0.000000\nBa Ta Sb\n4 1 1\ndirect\n0.126062 0.624646 0.624646 Ba\n0.624646 0.624646 0.624646 Ba\n0.624646 0.126062 0.624646 Ba\n0.624646 0.624646 0.126062 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Sb"
],
"chemical_system": "Ba-Sb-Ta",
"density": 5.930533125008388,
"density_atomic": 0.02515059128216157,
"volume": 238.5629797998264,
"volume_molar": 23.94433074132652,
"formula_full": "Ba4 Ta1 Sb1",
"formula_reduced": "Ba4TaSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4904665299999995,
"spacegroup": 216
}
]
}