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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4585",
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"results": [
{
"id": "jvasp-98891",
"created_at": "2022-09-04T14:35:53.439341Z",
"updated_at": "2022-09-04T14:35:53.439369Z",
"structure_string": "P10 Br20 N10\n1.0\n8.605465 0.058442 -3.605376\n-1.505949 10.047604 -2.006667\n-0.024956 -0.021976 11.820495\nP Br N\n10 20 10\ndirect\n0.614556 0.314538 0.407573 P\n0.354143 0.521231 0.754698 P\n0.166769 0.706593 0.831932 P\n0.833230 0.293406 0.168067 P\n0.385443 0.685461 0.592426 P\n0.691167 0.040241 0.336665 P\n0.192837 0.995139 0.861049 P\n0.308832 0.959758 0.663334 P\n0.807162 0.004860 0.138950 P\n0.645856 0.478768 0.245301 P\n0.039417 0.947206 0.152940 Br\n0.537568 0.094952 0.745131 Br\n0.410780 0.520499 0.126676 Br\n0.973163 0.384760 0.079303 Br\n0.007709 0.330977 0.369953 Br\n0.635102 0.852997 0.978854 Br\n0.806939 0.008170 0.528428 Br\n0.364897 0.147002 0.021145 Br\n0.363048 0.278233 0.372385 Br\n0.262209 0.645692 0.384349 Br\n0.200824 0.328759 0.701679 Br\n0.193060 0.991829 0.471571 Br\n0.737790 0.354307 0.615650 Br\n0.462430 0.905047 0.254868 Br\n0.799175 0.671240 0.298320 Br\n0.636951 0.721766 0.627614 Br\n0.589219 0.479499 0.873324 Br\n0.960582 0.052793 0.847059 Br\n0.026835 0.615239 0.920696 Br\n0.992290 0.669022 0.630046 Br\n0.337965 0.810949 0.662367 N\n0.201469 0.011827 0.733499 N\n0.350731 0.549874 0.626998 N\n0.313186 0.630827 0.847240 N\n0.786200 0.141613 0.098211 N\n0.213798 0.858386 0.901789 N\n0.649267 0.450125 0.373001 N\n0.662033 0.189050 0.337632 N\n0.798530 0.988172 0.266500 N\n0.686813 0.369172 0.152759 N\n",
"nsites": 40,
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"elements": [
"P",
"Br",
"N"
],
"chemical_system": "Br-N-P",
"density": 3.3283952356319064,
"density_atomic": 0.03915076938429375,
"volume": 1021.6912880401002,
"volume_molar": 15.38192187460797,
"formula_full": "P10 Br20 N10",
"formula_reduced": "PBr2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.91225174,
"spacegroup": 2
},
{
"id": "jvasp-88237",
"created_at": "2022-09-04T14:36:01.193827Z",
"updated_at": "2022-09-04T14:36:01.193855Z",
"structure_string": "Te8 H8 O24\n1.0\n12.006867 0.000000 -0.000009\n0.000000 8.116945 0.000000\n-0.000028 0.000000 4.789431\nTe H O\n8 8 24\ndirect\n0.607317 0.439722 0.979502 Te\n0.392838 0.560259 0.479501 Te\n0.892838 0.939740 0.479501 Te\n0.107317 0.060277 0.979502 Te\n0.890873 0.333140 0.855085 Te\n0.109283 0.666877 0.355087 Te\n0.609283 0.833122 0.355087 Te\n0.390872 0.166860 0.855085 Te\n0.197887 0.162229 0.417718 H\n0.802284 0.837749 0.917719 H\n0.697887 0.337771 0.417718 H\n0.302284 0.662250 0.917719 H\n0.625440 0.044740 0.992269 H\n0.125440 0.455259 0.992269 H\n0.874708 0.544752 0.492256 H\n0.374708 0.955247 0.492256 H\n0.473184 0.409501 0.224618 O\n0.308121 0.705803 0.721197 O\n0.692048 0.294202 0.221208 O\n0.047685 0.247179 0.780670 O\n0.952474 0.752845 0.280655 O\n0.452474 0.747154 0.280655 O\n0.547685 0.252821 0.780670 O\n0.973184 0.090499 0.224618 O\n0.026972 0.909523 0.724613 O\n0.526972 0.590476 0.724613 O\n0.831198 0.133887 0.676882 O\n0.230690 0.064302 0.726571 O\n0.668962 0.633879 0.176865 O\n0.331197 0.366113 0.676882 O\n0.428388 0.046765 0.514554 O\n0.571763 0.953219 0.014561 O\n0.071762 0.546780 0.014561 O\n0.928388 0.453234 0.514554 O\n0.808121 0.794197 0.721197 O\n0.769461 0.935700 0.226583 O\n0.269461 0.564299 0.226583 O\n0.730690 0.435698 0.726571 O\n0.168961 0.866120 0.176865 O\n0.192048 0.205798 0.221208 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 5.026187188518651,
"density_atomic": 0.08569466142521458,
"volume": 466.77353448566754,
"volume_molar": 7.027439819288511,
"formula_full": "Te8 H8 O24",
"formula_reduced": "TeHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.083199653333333,
"spacegroup": 33
},
{
"id": "jvasp-95486",
"created_at": "2022-09-04T14:35:53.855932Z",
"updated_at": "2022-09-04T14:35:53.855961Z",
"structure_string": "Sr8 Si8 O24\n1.0\n6.114413 0.000000 0.000000\n0.000000 7.462506 -0.832849\n0.000000 -0.025375 12.165794\nSr Si O\n8 8 24\ndirect\n0.408112 0.584198 0.840683 Sr\n0.091888 0.084198 0.340683 Sr\n0.598893 0.910390 0.125606 Sr\n0.901107 0.410389 0.625606 Sr\n0.908112 0.915801 0.659317 Sr\n0.591887 0.415802 0.159317 Sr\n0.401107 0.089610 0.874394 Sr\n0.098893 0.589611 0.374394 Sr\n0.850757 0.331619 0.881390 Si\n0.088145 0.248527 0.092302 Si\n0.588144 0.251473 0.407698 Si\n0.411854 0.748527 0.592302 Si\n0.350757 0.168380 0.618610 Si\n0.911855 0.751472 0.907697 Si\n0.149243 0.668381 0.118610 Si\n0.649242 0.831620 0.381390 Si\n0.616941 0.657030 0.648037 O\n0.129105 0.148315 0.546671 O\n0.370895 0.648316 0.046671 O\n0.439388 0.773619 0.457551 O\n0.883059 0.157030 0.148037 O\n0.676092 0.701240 0.267830 O\n0.587199 0.037203 0.343732 O\n0.825673 0.344656 0.399307 O\n0.116941 0.842970 0.851962 O\n0.176092 0.798761 0.232170 O\n0.870894 0.851684 0.453329 O\n0.412800 0.962797 0.656267 O\n0.087199 0.462797 0.156267 O\n0.823907 0.201239 0.767829 O\n0.674326 0.844656 0.899307 O\n0.174326 0.655344 0.600692 O\n0.939388 0.726382 0.042449 O\n0.912800 0.537203 0.843732 O\n0.323908 0.298760 0.732170 O\n0.325673 0.155344 0.100693 O\n0.060612 0.273618 0.957551 O\n0.560612 0.226381 0.542449 O\n0.629105 0.351684 0.953329 O\n0.383059 0.342970 0.351963 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 3.9184902035737474,
"density_atomic": 0.07207442342707289,
"volume": 554.9818936876162,
"volume_molar": 8.35544770759545,
"formula_full": "Sr8 Si8 O24",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4497330819999994,
"spacegroup": 14
},
{
"id": "jvasp-87190",
"created_at": "2022-09-04T14:35:53.258682Z",
"updated_at": "2022-09-04T14:35:53.258700Z",
"structure_string": "Tl4 Fe4 C12 N4 O16\n1.0\n8.785761 -0.000000 -0.000000\n0.000000 8.785761 -0.000000\n-0.000000 -0.000000 8.785761\nTl Fe C N O\n4 4 12 4 16\ndirect\n0.061292 0.061292 0.061292 Tl\n0.561292 0.438707 0.938707 Tl\n0.938707 0.561292 0.438707 Tl\n0.438707 0.938707 0.561292 Tl\n0.556322 0.556322 0.556322 Fe\n0.943678 0.443678 0.056322 Fe\n0.056322 0.943678 0.443678 Fe\n0.443678 0.056322 0.943678 Fe\n0.643423 0.059184 0.908185 C\n0.356577 0.559184 0.591815 C\n0.059184 0.908185 0.643423 C\n0.143423 0.440816 0.091815 C\n0.559184 0.591815 0.356577 C\n0.940815 0.408185 0.856576 C\n0.440816 0.091815 0.143423 C\n0.856576 0.940815 0.408185 C\n0.091815 0.143423 0.440816 C\n0.591815 0.356577 0.559184 C\n0.908185 0.643423 0.059184 C\n0.408185 0.856576 0.940815 C\n0.665513 0.665513 0.665513 N\n0.834487 0.334487 0.165513 N\n0.165513 0.834487 0.334487 N\n0.334487 0.165513 0.834487 N\n0.568278 0.618598 0.226618 O\n0.273382 0.431722 0.118598 O\n0.226618 0.568278 0.618598 O\n0.618598 0.226618 0.568278 O\n0.726618 0.931722 0.381402 O\n0.118598 0.273382 0.431722 O\n0.431722 0.118598 0.273382 O\n0.931722 0.381402 0.726618 O\n0.773382 0.068278 0.881402 O\n0.068278 0.881402 0.773382 O\n0.881402 0.773382 0.068278 O\n0.755661 0.255661 0.244339 O\n0.244339 0.755661 0.255661 O\n0.255661 0.244339 0.755661 O\n0.381402 0.726618 0.931722 O\n0.744339 0.744339 0.744339 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Tl",
"Fe",
"C",
"N",
"O"
],
"chemical_system": "C-Fe-N-O-Tl",
"density": 3.6656399171626988,
"density_atomic": 0.05898231803388661,
"volume": 678.1693452098499,
"volume_molar": 10.21007813992687,
"formula_full": "Tl4 Fe4 C12 N4 O16",
"formula_reduced": "TlFeC3NO4",
"formula_anonymous": "ABCD3E4",
"energy_above_hull": 4.214501535,
"spacegroup": 198
},
{
"id": "jvasp-62144",
"created_at": "2022-09-04T14:35:49.200090Z",
"updated_at": "2022-09-04T14:35:49.200109Z",
"structure_string": "P4 Au4 Cl32\n1.0\n-5.663533 6.046486 7.976217\n5.663533 -6.046486 7.976217\n5.663533 6.046486 -7.976217\nP Au Cl\n4 4 32\ndirect\n0.749860 0.749860 -0.000000 P\n0.250141 0.250141 -0.000000 P\n0.249859 0.749859 0.500000 P\n0.750141 0.250141 0.500000 P\n0.250000 0.325616 0.575617 Au\n0.750000 0.674383 0.424383 Au\n0.250000 0.835338 0.085338 Au\n0.750001 0.164662 0.914662 Au\n0.223093 0.414148 0.992523 Cl\n0.441957 0.323537 0.765494 Cl\n0.558043 0.676463 0.234506 Cl\n0.941957 0.676463 0.618420 Cl\n0.105163 0.690752 0.085589 Cl\n0.394837 0.980426 0.085589 Cl\n0.894837 0.309247 0.914411 Cl\n0.605164 0.019574 0.914411 Cl\n0.250000 0.629876 0.879876 Cl\n0.750000 0.370124 0.120124 Cl\n0.250000 0.039605 0.289605 Cl\n0.750000 0.960395 0.710395 Cl\n0.058043 0.323537 0.381580 Cl\n0.604983 0.529466 0.424484 Cl\n0.895018 0.819502 0.424484 Cl\n0.395018 0.470534 0.575516 Cl\n0.421626 0.230570 0.007477 Cl\n0.078374 0.585852 0.308944 Cl\n0.723093 0.230570 0.308945 Cl\n0.776907 0.585852 0.007477 Cl\n0.578374 0.769430 0.992523 Cl\n0.921627 0.414148 0.691056 Cl\n0.276907 0.769430 0.691055 Cl\n0.238438 0.931384 0.526653 Cl\n0.095269 0.068615 0.807054 Cl\n0.404731 0.711784 0.473346 Cl\n0.761562 0.068616 0.473347 Cl\n0.738439 0.711784 0.807054 Cl\n0.904731 0.931385 0.192946 Cl\n0.104983 0.180497 0.575516 Cl\n0.261562 0.288215 0.192946 Cl\n0.595270 0.288215 0.526654 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"P",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-P",
"density": 3.110010856960812,
"density_atomic": 0.03661108098683789,
"volume": 1092.565390636252,
"volume_molar": 16.44895642978974,
"formula_full": "P4 Au4 Cl32",
"formula_reduced": "PAuCl8",
"formula_anonymous": "ABC8",
"energy_above_hull": 0.454181561,
"spacegroup": 74
},
{
"id": "jvasp-98821",
"created_at": "2022-09-04T14:36:01.349966Z",
"updated_at": "2022-09-04T14:36:01.349977Z",
"structure_string": "Si8 Br32\n1.0\n10.945056 -0.000000 0.000000\n-0.000000 10.945056 0.000000\n-0.000000 -0.000000 10.945056\nSi Br\n8 32\ndirect\n0.370029 0.629972 0.129972 Si\n0.129972 0.129972 0.129972 Si\n0.870029 0.870029 0.870029 Si\n0.129972 0.370029 0.629972 Si\n0.629972 0.129972 0.370029 Si\n0.870029 0.629972 0.370029 Si\n0.370029 0.870029 0.629972 Si\n0.629972 0.370029 0.870029 Si\n0.246860 0.253140 0.746860 Br\n0.008242 0.252563 0.517763 Br\n0.752563 0.517763 0.491758 Br\n0.982238 0.991759 0.752563 Br\n0.008242 0.247438 0.017763 Br\n0.747438 0.017763 0.491758 Br\n0.491758 0.752563 0.517763 Br\n0.482237 0.991759 0.747438 Br\n0.753140 0.746860 0.253140 Br\n0.246860 0.246860 0.246860 Br\n0.253140 0.746860 0.246860 Br\n0.753140 0.753140 0.753140 Br\n0.991759 0.752563 0.982238 Br\n0.247438 0.017763 0.008242 Br\n0.247438 0.482237 0.508242 Br\n0.982238 0.508242 0.252563 Br\n0.252563 0.982238 0.508242 Br\n0.991759 0.747438 0.482237 Br\n0.252563 0.517763 0.008242 Br\n0.517763 0.491758 0.752563 Br\n0.482237 0.508242 0.247438 Br\n0.017763 0.491758 0.747438 Br\n0.508242 0.252563 0.982238 Br\n0.746860 0.253140 0.753140 Br\n0.746860 0.246860 0.253140 Br\n0.017763 0.008242 0.247438 Br\n0.752563 0.982238 0.991759 Br\n0.508242 0.247438 0.482237 Br\n0.747438 0.482237 0.991759 Br\n0.253140 0.753140 0.746860 Br\n0.517763 0.008242 0.252563 Br\n0.491758 0.747438 0.017763 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.522829989748764,
"density_atomic": 0.030507458379023182,
"volume": 1311.1547839561704,
"volume_molar": 19.739896667828614,
"formula_full": "Si8 Br32",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4367210039999999,
"spacegroup": 205
},
{
"id": "jvasp-90899",
"created_at": "2022-09-04T14:35:56.482693Z",
"updated_at": "2022-09-04T14:35:56.482709Z",
"structure_string": "K4 Si8 B4 O24\n1.0\n4.726590 0.000000 0.000000\n0.000000 10.010161 0.000000\n0.000000 0.000000 10.503931\nK Si B O\n4 8 4 24\ndirect\n0.801303 0.966851 0.811881 K\n0.698697 0.033148 0.311881 K\n0.301303 0.533148 0.188119 K\n0.198697 0.466852 0.688119 K\n0.789058 0.608503 0.934498 Si\n0.710942 0.391497 0.434498 Si\n0.289058 0.891497 0.065502 Si\n0.210942 0.108503 0.565502 Si\n0.266856 0.801381 0.576021 Si\n0.233144 0.198619 0.076022 Si\n0.766856 0.698619 0.423978 Si\n0.733144 0.301381 0.923978 Si\n0.707394 0.231831 0.657520 B\n0.792606 0.768169 0.157520 B\n0.207394 0.268169 0.342480 B\n0.292606 0.731831 0.842480 B\n0.380617 0.050685 0.081877 O\n0.119383 0.949315 0.581877 O\n0.975004 0.193638 0.971069 O\n0.524996 0.806362 0.471069 O\n0.475004 0.306362 0.028931 O\n0.024996 0.693638 0.528931 O\n0.606268 0.254482 0.788940 O\n0.893732 0.745518 0.288940 O\n0.106268 0.245518 0.211060 O\n0.393732 0.754482 0.711060 O\n0.545440 0.119885 0.602847 O\n0.011702 0.197059 0.660033 O\n0.045440 0.380115 0.397153 O\n0.454560 0.619885 0.897153 O\n0.662869 0.357553 0.585525 O\n0.837131 0.642447 0.085525 O\n0.162869 0.142447 0.414475 O\n0.337131 0.857553 0.914475 O\n0.619383 0.550685 0.418123 O\n0.488298 0.802941 0.160033 O\n0.511702 0.302941 0.339967 O\n0.988298 0.697059 0.839967 O\n0.954560 0.880115 0.102847 O\n0.880617 0.449315 0.918123 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Si",
"B",
"O"
],
"chemical_system": "B-K-O-Si",
"density": 2.7007505626542434,
"density_atomic": 0.0804857762006884,
"volume": 496.9822232969641,
"volume_molar": 7.482242259780172,
"formula_full": "K4 Si8 B4 O24",
"formula_reduced": "KSi2BO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.630009878333333,
"spacegroup": 19
},
{
"id": "jvasp-98625",
"created_at": "2022-09-04T14:36:06.146088Z",
"updated_at": "2022-09-04T14:36:06.146123Z",
"structure_string": "Ce4 Mg8 H28\n1.0\n6.264321 -0.000000 -0.000000\n-0.000000 6.264321 -0.000000\n-0.000000 -0.000000 9.403023\nCe Mg H\n4 8 28\ndirect\n0.769140 0.230860 0.750000 Ce\n0.230860 0.769140 0.250000 Ce\n0.730860 0.730860 0.500000 Ce\n0.269140 0.269140 0.000000 Ce\n0.025995 0.262117 0.352152 Mg\n0.974005 0.737883 0.852152 Mg\n0.237883 0.525995 0.602152 Mg\n0.762117 0.474005 0.102152 Mg\n0.737883 0.974005 0.147848 Mg\n0.474005 0.762117 0.897848 Mg\n0.525995 0.237883 0.397848 Mg\n0.262117 0.025995 0.647848 Mg\n0.840763 0.695562 0.246721 H\n0.072999 0.435472 0.178782 H\n0.804438 0.340763 0.496721 H\n0.195562 0.659236 0.996721 H\n0.159236 0.304438 0.746721 H\n0.744219 0.255781 0.250000 H\n0.340763 0.804438 0.503279 H\n0.695562 0.840763 0.753279 H\n0.304438 0.159236 0.253279 H\n0.255781 0.744219 0.750000 H\n0.927001 0.564527 0.678782 H\n0.659236 0.195562 0.003279 H\n0.064528 0.572999 0.428782 H\n0.035288 0.028238 0.127093 H\n0.435472 0.072999 0.821218 H\n0.564527 0.927001 0.321218 H\n0.427001 0.935472 0.071218 H\n0.572999 0.064528 0.571218 H\n0.244219 0.244219 0.500000 H\n0.964712 0.971762 0.627093 H\n0.471762 0.535288 0.377093 H\n0.528238 0.464712 0.877093 H\n0.028238 0.035288 0.872907 H\n0.971762 0.964712 0.372907 H\n0.464712 0.528238 0.122907 H\n0.535288 0.471762 0.622907 H\n0.935472 0.427001 0.928782 H\n0.755780 0.755780 0.000000 H\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"H"
],
"chemical_system": "Ce-H-Mg",
"density": 3.5242394752316,
"density_atomic": 0.10840379467326601,
"volume": 368.99077306806305,
"volume_molar": 5.555285936392732,
"formula_full": "Ce4 Mg8 H28",
"formula_reduced": "CeMg2H7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.17470636,
"spacegroup": 92
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{
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