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=-nsites&page=526",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=524",
"results": [
{
"id": "jvasp-59628",
"created_at": "2022-09-04T14:37:33.383762Z",
"updated_at": "2022-09-04T14:37:33.383791Z",
"structure_string": "Tl3 Ir1 N6 O12\n1.0\n6.857030 -0.000000 3.958908\n2.285677 6.464870 3.958908\n-0.000000 -0.000000 7.917817\nTl Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Ir\n0.821224 0.821224 0.178777 N\n0.178777 0.821224 0.178776 N\n0.178776 0.178776 0.821224 N\n0.821224 0.178776 0.821224 N\n0.178777 0.821224 0.821224 N\n0.821224 0.178776 0.178777 N\n0.418371 0.000000 0.581629 O\n0.000000 0.418371 0.581629 O\n0.000000 0.000000 0.581629 O\n0.000000 0.581629 0.000000 O\n0.000000 0.581629 0.418371 O\n0.418371 0.000000 0.000000 O\n0.000000 0.418371 0.000000 O\n0.581629 0.000000 0.418372 O\n0.581629 0.418371 0.000000 O\n0.418371 0.581629 0.000000 O\n0.581629 0.000000 0.000000 O\n0.000000 0.000000 0.418371 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tl",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O-Tl",
"density": 5.116042185054358,
"density_atomic": 0.06267890130460835,
"volume": 350.9953037160607,
"volume_molar": 9.607923295804857,
"formula_full": "Tl3 Ir1 N6 O12",
"formula_reduced": "Tl3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.656840472727272,
"spacegroup": 225
},
{
"id": "jvasp-50457",
"created_at": "2022-09-04T14:37:34.014279Z",
"updated_at": "2022-09-04T14:37:34.014308Z",
"structure_string": "Er4 Nb4 O14\n1.0\n3.640582 -6.305673 -0.000000\n3.640582 6.305673 0.000000\n0.000000 -4.203783 5.945046\nEr Nb O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 -0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n-0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.874999 0.625000 0.875001 O\n0.152240 0.902240 0.152240 O\n0.152240 0.902240 0.597760 O\n0.402240 0.652240 0.402241 O\n0.402240 0.652240 0.847760 O\n0.847759 0.097760 0.402241 O\n0.152240 0.347760 0.597760 O\n0.597759 0.347760 0.152240 O\n0.597759 0.347760 0.597760 O\n0.597759 0.902240 0.152240 O\n0.125000 0.375000 0.125000 O\n0.402240 0.097760 0.847760 O\n0.847759 0.097760 0.847760 O\n0.847759 0.652240 0.402241 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Nb",
"O"
],
"chemical_system": "Er-Nb-O",
"density": 7.6936608768038175,
"density_atomic": 0.08060002991715542,
"volume": 272.9527522832517,
"volume_molar": 7.4716358867234245,
"formula_full": "Er4 Nb4 O14",
"formula_reduced": "Er2Nb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0732984818181817,
"spacegroup": 227
},
{
"id": "jvasp-42434",
"created_at": "2022-09-04T14:37:29.956739Z",
"updated_at": "2022-09-04T14:37:29.956763Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.798278 0.000000 0.000000\n0.000000 4.788004 0.000000\n0.000000 0.000000 8.085022\nLi Fe O\n6 4 12\ndirect\n0.000000 0.500000 0.773313 Li\n0.000000 0.500000 0.066122 Li\n0.000000 0.000000 0.719132 Li\n0.500000 0.500000 0.219132 Li\n0.500000 0.000000 0.273313 Li\n0.500000 0.000000 0.566122 Li\n0.000000 0.000000 0.103183 Fe\n0.500000 0.500000 0.603183 Fe\n0.000000 0.500000 0.409495 Fe\n0.500000 0.000000 0.909495 Fe\n0.179409 0.293978 0.582448 O\n0.320591 0.793978 0.082448 O\n0.327564 0.705781 0.429208 O\n0.351229 0.756648 0.753561 O\n0.648771 0.243351 0.753561 O\n0.851230 0.743350 0.253561 O\n0.679409 0.206022 0.082448 O\n0.820592 0.706021 0.582448 O\n0.827565 0.794218 0.929207 O\n0.172436 0.205781 0.929207 O\n0.672436 0.294218 0.429208 O\n0.148771 0.256649 0.253561 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.08565834009398,
"density_atomic": 0.11844086323275245,
"volume": 185.74670430058416,
"volume_molar": 5.084512722746433,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.4213110909090907,
"spacegroup": 34
},
{
"id": "jvasp-50010",
"created_at": "2022-09-04T14:37:13.046128Z",
"updated_at": "2022-09-04T14:37:13.046159Z",
"structure_string": "In4 Sn4 O14\n1.0\n0.000024 5.175027 5.175248\n5.175195 -0.000116 5.175388\n5.175089 5.175062 -0.000011\nIn Sn O\n4 4 14\ndirect\n0.499993 0.500008 0.999994 In\n0.500005 0.000001 0.499996 In\n0.000000 0.499995 0.500007 In\n0.500002 0.499998 0.499999 In\n0.000002 -0.000000 0.000002 Sn\n0.499998 0.000000 0.000000 Sn\n0.000002 0.499997 0.000001 Sn\n-0.000003 0.000001 0.500000 Sn\n0.908189 0.341812 0.908177 O\n0.908177 0.908179 0.341819 O\n0.625000 0.625001 0.624996 O\n0.341827 0.341813 0.908175 O\n0.341818 0.908182 0.341814 O\n0.091815 0.091820 0.658184 O\n0.658179 0.658188 0.091822 O\n0.658175 0.091823 0.658181 O\n0.091826 0.658181 0.091822 O\n0.091815 0.658190 0.658180 O\n0.908182 0.341812 0.341821 O\n0.658178 0.091822 0.091819 O\n0.375001 0.375000 0.374999 O\n0.341826 0.908173 0.908179 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"In",
"Sn",
"O"
],
"chemical_system": "In-O-Sn",
"density": 6.937273102295397,
"density_atomic": 0.07936243120170647,
"volume": 277.20924960180594,
"volume_molar": 7.588150550345678,
"formula_full": "In4 Sn4 O14",
"formula_reduced": "In2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.6875498036363634,
"spacegroup": 227
},
{
"id": "jvasp-57469",
"created_at": "2022-09-04T14:37:12.635380Z",
"updated_at": "2022-09-04T14:37:12.635403Z",
"structure_string": "Dy4 Tc4 O14\n1.0\n6.282831 -0.000000 3.627394\n2.094277 5.923509 3.627394\n-0.000000 -0.000000 7.254788\nDy Tc O\n4 4 14\ndirect\n0.500000 0.000000 -0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 -0.000001 Tc\n0.000000 0.500000 0.500000 Tc\n0.500000 0.000000 0.500000 Tc\n0.875000 0.875000 0.874999 O\n0.162286 0.587715 0.162285 O\n0.412286 0.837715 0.412285 O\n0.162286 0.162286 0.587714 O\n0.125000 0.125000 0.125000 O\n0.587714 0.162286 0.162285 O\n0.837715 0.412286 0.412285 O\n0.587715 0.587715 0.162285 O\n0.837715 0.837715 0.412285 O\n0.162286 0.587715 0.587714 O\n0.837715 0.412286 0.837714 O\n0.587714 0.162286 0.587714 O\n0.412286 0.412286 0.837714 O\n0.412286 0.837715 0.837714 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Tc",
"O"
],
"chemical_system": "Dy-O-Tc",
"density": 7.786114123697248,
"density_atomic": 0.08148234595993531,
"volume": 269.99713546315115,
"volume_molar": 7.390730702526746,
"formula_full": "Dy4 Tc4 O14",
"formula_reduced": "Dy2Tc2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.127549136363636,
"spacegroup": 227
},
{
"id": "jvasp-50042",
"created_at": "2022-09-04T14:37:32.863662Z",
"updated_at": "2022-09-04T14:37:32.863687Z",
"structure_string": "In4 Pt4 O14\n1.0\n7.135937 0.000540 0.000058\n3.567512 6.180219 0.000007\n3.567800 2.060247 5.826412\nIn Pt O\n4 4 14\ndirect\n-0.000017 0.000014 0.000011 In\n-0.000007 0.500005 0.500010 In\n0.499985 0.000009 0.499997 In\n0.000012 -0.000007 0.500008 In\n0.499995 0.500004 -0.000003 Pt\n0.000003 0.499998 0.000003 Pt\n0.500003 -0.000002 -0.000008 Pt\n0.500009 0.499992 0.499995 Pt\n0.407787 0.842187 0.907834 O\n0.407819 0.407818 0.342174 O\n0.842183 0.407821 0.342182 O\n0.842183 0.842178 0.907790 O\n0.592178 0.157811 0.657809 O\n0.407842 0.842178 0.342177 O\n0.157833 0.592165 0.657817 O\n0.592192 0.592171 0.657816 O\n0.592206 0.157821 0.092147 O\n0.842177 0.407819 0.907833 O\n0.157813 0.592189 0.092177 O\n0.124987 0.125009 0.625011 O\n0.157822 0.157817 0.092210 O\n0.874990 0.875006 0.375015 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"In",
"Pt",
"O"
],
"chemical_system": "In-O-Pt",
"density": 9.45879694579846,
"density_atomic": 0.08562236189774235,
"volume": 256.9422229472519,
"volume_molar": 7.033373789889331,
"formula_full": "In4 Pt4 O14",
"formula_reduced": "In2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.212089749090909,
"spacegroup": 227
},
{
"id": "jvasp-33026",
"created_at": "2022-09-04T14:37:30.272179Z",
"updated_at": "2022-09-04T14:37:30.272197Z",
"structure_string": "V2 N4 Cl12 O4\n1.0\n6.527130 0.000000 -0.250898\n0.000000 6.631954 0.000000\n-0.068491 0.000000 10.185261\nV N Cl O\n2 4 12 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.926549 0.486680 0.808071 N\n0.073451 0.513319 0.191929 N\n0.573451 0.986680 0.691929 N\n0.426549 0.013320 0.308071 N\n0.209505 0.321519 0.519856 Cl\n0.811526 0.699659 0.998937 Cl\n0.538555 0.524214 0.729273 Cl\n0.709505 0.178481 0.019855 Cl\n0.290495 0.821518 0.980144 Cl\n0.311526 0.800340 0.498937 Cl\n0.188475 0.300340 0.001063 Cl\n0.961445 0.024215 0.770726 Cl\n0.688475 0.199660 0.501063 Cl\n0.790495 0.678481 0.480144 Cl\n0.038555 0.975785 0.229273 Cl\n0.461445 0.475785 0.270726 Cl\n0.027891 0.571353 0.740466 O\n0.472109 0.071353 0.759533 O\n0.527891 0.928646 0.240466 O\n0.972109 0.428647 0.259533 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"V",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-V",
"density": 2.438710033823267,
"density_atomic": 0.04991131634845327,
"volume": 440.7818027961463,
"volume_molar": 12.06568209493161,
"formula_full": "V2 N4 Cl12 O4",
"formula_reduced": "VN2(Cl3O)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.160070191363636,
"spacegroup": 14
},
{
"id": "jvasp-12833",
"created_at": "2022-09-04T14:37:12.446882Z",
"updated_at": "2022-09-04T14:37:12.446912Z",
"structure_string": "K4 B4 S14\n1.0\n6.408078 -0.000000 2.208989\n2.920458 7.289569 1.927139\n-0.035559 0.050369 10.502274\nK B S\n4 4 14\ndirect\n0.869322 0.315565 0.477694 K\n0.130678 0.684436 0.522306 K\n0.662580 0.184436 0.022306 K\n0.337421 0.815565 0.977694 K\n0.841257 0.617431 0.149087 B\n0.607774 0.882569 0.350912 B\n0.158744 0.382569 0.850912 B\n0.392226 0.117431 0.649087 B\n0.095543 0.112116 0.730501 S\n0.061840 0.612116 0.230501 S\n0.148791 0.624859 0.839127 S\n0.387223 0.124859 0.339127 S\n0.851209 0.375141 0.160873 S\n0.612777 0.875141 0.660873 S\n0.841029 0.757650 0.973794 S\n0.572474 0.742350 0.526206 S\n0.457597 0.250000 0.750000 S\n0.427526 0.257650 0.473794 S\n0.904458 0.887884 0.269499 S\n0.938160 0.387884 0.769498 S\n0.542404 0.750000 0.250000 S\n0.158971 0.242350 0.026206 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"B",
"S"
],
"chemical_system": "B-K-S",
"density": 2.193986072871354,
"density_atomic": 0.044819381710273526,
"volume": 490.8590694582729,
"volume_molar": 13.436465498183347,
"formula_full": "K4 B4 S14",
"formula_reduced": "K2B2S7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.172178287878788,
"spacegroup": 15
},
{
"id": "jvasp-50034",
"created_at": "2022-09-04T14:37:13.609979Z",
"updated_at": "2022-09-04T14:37:13.609998Z",
"structure_string": "Na12 Mg2 O8\n1.0\n7.434304 -0.000000 0.000000\n0.000000 7.434304 -0.000000\n-0.000000 -0.000000 5.466880\nNa Mg O\n12 2 8\ndirect\n0.787605 0.787605 0.500000 Na\n0.712394 0.712394 0.000000 Na\n0.000000 0.500000 0.586801 Na\n0.000000 0.500000 0.086801 Na\n0.712394 0.287605 0.000000 Na\n0.287605 0.287605 0.000000 Na\n0.287605 0.712394 0.000000 Na\n0.787605 0.212394 0.500000 Na\n0.500000 0.000000 0.913199 Na\n0.500000 0.000000 0.413199 Na\n0.212394 0.787605 0.500000 Na\n0.212394 0.212394 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.742001 0.500000 0.316879 O\n0.500000 0.742001 0.683121 O\n0.242002 0.000000 0.183121 O\n0.757998 0.000000 0.183121 O\n0.500000 0.257998 0.683121 O\n0.000000 0.242002 0.816879 O\n0.257998 0.500000 0.316879 O\n0.000000 0.757998 0.816879 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.4867415200087253,
"density_atomic": 0.07281192407905172,
"volume": 302.1483126323465,
"volume_molar": 8.270816677583985,
"formula_full": "Na12 Mg2 O8",
"formula_reduced": "Na6MgO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4024195909090908,
"spacegroup": 137
},
{
"id": "jvasp-59622",
"created_at": "2022-09-04T14:37:29.848920Z",
"updated_at": "2022-09-04T14:37:29.848940Z",
"structure_string": "K3 Ir1 N6 O12\n1.0\n6.331872 0.000000 3.655708\n2.110624 5.969747 3.655708\n0.000000 -0.000000 7.311416\nK Ir N O\n3 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.499999 0.500000 0.500001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ir\n0.803626 0.803627 0.196374 N\n0.196372 0.803627 0.196373 N\n0.196373 0.196373 0.803628 N\n0.803627 0.196373 0.803628 N\n0.196372 0.803627 0.803628 N\n0.803627 0.196373 0.196373 N\n0.408863 -0.000000 0.591138 O\n-0.000000 0.408863 0.591137 O\n0.000000 0.000000 0.591137 O\n-0.000000 0.591137 0.000000 O\n-0.000000 0.591137 0.408863 O\n0.408863 -0.000000 0.000000 O\n-0.000000 0.408863 0.000000 O\n0.591137 -0.000000 0.408863 O\n0.591137 0.408863 0.000000 O\n0.408862 0.591137 0.000000 O\n0.591137 -0.000000 0.000000 O\n0.000000 0.000000 0.408863 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-K-N-O",
"density": 3.518193747610747,
"density_atomic": 0.0796036777846556,
"volume": 276.369140374576,
"volume_molar": 7.565153932072254,
"formula_full": "K3 Ir1 N6 O12",
"formula_reduced": "K3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.592702572727273,
"spacegroup": 225
},
{
"id": "jvasp-42369",
"created_at": "2022-09-04T14:37:28.723140Z",
"updated_at": "2022-09-04T14:37:28.723168Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.209526 -0.059381 -0.031121\n-2.288042 5.264983 -0.022638\n-0.066570 -2.564509 8.736989\nLi Mn B O\n2 4 4 12\ndirect\n0.254190 0.673088 0.189309 Li\n0.745811 0.326912 0.810691 Li\n0.760068 0.744335 0.398663 Mn\n0.277341 0.752014 0.870275 Mn\n0.722660 0.247985 0.129725 Mn\n0.239933 0.255664 0.601337 Mn\n0.780088 0.744342 0.054033 B\n0.274239 0.741640 0.530111 B\n0.725762 0.258360 0.469889 B\n0.219913 0.255658 0.945967 B\n0.622200 0.282067 0.606945 O\n0.141003 0.332790 0.825325 O\n0.664195 0.359349 0.358464 O\n0.887604 0.704721 0.919106 O\n0.112397 0.295279 0.080894 O\n0.566700 0.838822 0.070626 O\n0.858998 0.667209 0.174675 O\n0.377800 0.717932 0.393055 O\n0.088950 0.863106 0.559064 O\n0.911051 0.136894 0.440936 O\n0.335806 0.640651 0.641536 O\n0.433301 0.161177 0.929374 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.271948953352288,
"density_atomic": 0.09245422218186598,
"volume": 237.95560095377763,
"volume_molar": 6.513646016245633,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391447331765935,
"spacegroup": 2
},
{
"id": "jvasp-50014",
"created_at": "2022-09-04T14:37:13.299754Z",
"updated_at": "2022-09-04T14:37:13.299779Z",
"structure_string": "Al4 Si4 O14\n1.0\n5.197742 -0.021838 -0.004709\n0.576713 5.165694 0.004709\n-2.297271 2.578899 8.829632\nAl Si O\n4 4 14\ndirect\n0.375746 0.272066 0.978802 Al\n0.272066 0.375746 0.521198 Al\n0.727934 0.624253 0.478802 Al\n0.624253 0.727933 0.021198 Al\n0.191901 0.802900 0.704425 Si\n0.197099 0.808098 0.204425 Si\n0.802900 0.191900 0.795575 Si\n0.808099 0.197099 0.295575 Si\n0.933495 0.933495 0.750000 O\n0.684841 0.972464 0.394854 O\n0.583382 0.379527 0.133946 O\n0.408366 0.912591 0.105412 O\n0.620473 0.416618 0.633946 O\n0.379527 0.583381 0.366054 O\n0.066504 0.066504 0.250000 O\n0.416618 0.620472 0.866054 O\n0.315159 0.027535 0.605146 O\n0.912591 0.408366 0.394588 O\n0.087408 0.591633 0.605411 O\n0.027535 0.315159 0.894853 O\n0.591633 0.087408 0.894588 O\n0.972464 0.684840 0.105146 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 3.111908070041589,
"density_atomic": 0.09280328940861322,
"volume": 237.0605626179253,
"volume_molar": 6.489145803317911,
"formula_full": "Al4 Si4 O14",
"formula_reduced": "Al2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.635290663636363,
"spacegroup": 15
}
]
}