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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=990",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=988",
"results": [
{
"id": "jvasp-114461",
"created_at": "2022-09-04T14:38:40.858821Z",
"updated_at": "2022-09-04T14:38:40.858850Z",
"structure_string": "B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.2650805049808396,
"density_atomic": 0.058101691390938875,
"volume": 51.6336087329096,
"volume_molar": 10.36482865787823,
"formula_full": "B2 Br1",
"formula_reduced": "B2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 2.796566423888889,
"spacegroup": 8
},
{
"id": "jvasp-114462",
"created_at": "2022-09-04T14:38:40.786247Z",
"updated_at": "2022-09-04T14:38:40.786278Z",
"structure_string": "B1 Br2\n1.0\n3.937706 -0.280176 0.394636\n0.518596 -5.867513 0.184436\n-1.351410 0.253110 -3.722997\nB Br\n1 2\ndirect\n0.054292 0.876172 0.946264 B\n0.157072 0.549256 0.939770 Br\n0.593194 0.019561 0.533874 Br\n",
"nsites": 3,
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"elements": [
"B",
"Br"
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"density": 3.443116704836752,
"density_atomic": 0.036458307908497606,
"volume": 82.28577166908967,
"volume_molar": 16.517883317882603,
"formula_full": "B1 Br2",
"formula_reduced": "BBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.360623597777778,
"spacegroup": 1
},
{
"id": "jvasp-114465",
"created_at": "2022-09-04T14:38:41.141738Z",
"updated_at": "2022-09-04T14:38:41.141774Z",
"structure_string": "B2 Br1\n1.0\n8.328137 0.000000 -4.397166\n0.000000 3.421533 0.000000\n-5.119897 0.000000 4.749852\nB Br\n2 1\ndirect\n-0.212842 0.000000 -0.331060 B\n0.292830 0.000000 0.173670 B\n0.082231 0.000000 0.345612 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 2.8908423092075126,
"density_atomic": 0.051442170400766166,
"volume": 58.31791265081068,
"volume_molar": 11.706622627085554,
"formula_full": "B2 Br1",
"formula_reduced": "B2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8098197572222228,
"spacegroup": 6
},
{
"id": "jvasp-86883",
"created_at": "2022-09-04T14:35:59.114530Z",
"updated_at": "2022-09-04T14:35:59.114557Z",
"structure_string": "Ce6 B2 C3 Br3\n1.0\n3.664744 0.000000 0.000000\n0.000000 7.863797 -3.395573\n0.000000 -0.172856 10.112589\nCe B C Br\n6 2 3 3\ndirect\n0.000000 0.288956 0.484175 Ce\n0.499999 0.939079 0.157961 Ce\n0.499999 0.368685 0.219071 Ce\n0.000000 0.711044 0.515825 Ce\n0.499999 0.060921 0.842039 Ce\n0.499999 0.631315 0.780929 Ce\n0.000000 0.102352 0.064219 B\n0.000000 0.897648 0.935781 B\n0.000000 0.164391 0.229430 C\n0.000000 0.835609 0.770571 C\n0.499999 0.500000 0.500000 C\n0.000000 0.352839 0.814840 Br\n0.499999 -0.000000 0.500000 Br\n0.000000 0.647161 0.185161 Br\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ce",
"B",
"C",
"Br"
],
"chemical_system": "B-Br-C-Ce",
"density": 6.532720678940343,
"density_atomic": 0.04839573243244957,
"volume": 289.28170514912864,
"volume_molar": 12.443536769291926,
"formula_full": "Ce6 B2 C3 Br3",
"formula_reduced": "Ce6B2(CBr)3",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 3.4562064629761906,
"spacegroup": 10
},
{
"id": "jvasp-86281",
"created_at": "2022-09-04T14:36:14.474691Z",
"updated_at": "2022-09-04T14:36:14.474718Z",
"structure_string": "Ce6 B2 C3 Br3\n1.0\n3.665764 0.000000 0.000000\n0.000000 7.863227 -3.395599\n0.000000 -0.172569 10.113292\nCe B C Br\n6 2 3 3\ndirect\n0.000000 0.288938 0.484150 Ce\n0.499999 0.939059 0.157929 Ce\n0.499999 0.368694 0.219100 Ce\n0.000000 0.711062 0.515849 Ce\n0.499999 0.060941 0.842071 Ce\n0.499999 0.631306 0.780900 Ce\n0.000000 0.102351 0.064228 B\n0.000000 0.897650 0.935772 B\n0.000000 0.164382 0.229426 C\n0.000000 0.835619 0.770574 C\n0.499999 0.500000 0.500000 C\n0.000000 0.352836 0.814818 Br\n0.499999 -0.000000 0.500000 Br\n0.000000 0.647164 0.185182 Br\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ce",
"B",
"C",
"Br"
],
"chemical_system": "B-Br-C-Ce",
"density": 6.530842243016353,
"density_atomic": 0.04838181659449526,
"volume": 289.36490990693557,
"volume_molar": 12.44711584617346,
"formula_full": "Ce6 B2 C3 Br3",
"formula_reduced": "Ce6B2(CBr)3",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 3.456204320119048,
"spacegroup": 10
},
{
"id": "jvasp-97856",
"created_at": "2022-09-04T14:35:53.439235Z",
"updated_at": "2022-09-04T14:35:53.439262Z",
"structure_string": "B2 H22 C8 Br2 N2 F8\n1.0\n5.634249 0.000000 -1.476690\n0.000000 7.609273 0.000000\n-0.041421 0.000000 9.329095\nB H C Br N F\n2 22 8 2 2 8\ndirect\n0.053402 0.750000 0.759320 B\n0.946598 0.250000 0.240680 B\n0.762249 0.415157 0.757792 H\n0.288888 0.596156 0.060371 H\n0.249655 0.369210 0.586170 H\n0.750345 0.630790 0.413831 H\n0.174411 0.368342 0.823641 H\n0.711112 0.096156 0.939630 H\n0.825589 0.868341 0.176360 H\n0.825589 0.631658 0.176360 H\n0.514180 0.527780 0.794146 H\n0.711112 0.403844 0.939630 H\n0.514180 0.972219 0.794146 H\n0.237751 0.915156 0.242208 H\n0.237751 0.584843 0.242208 H\n0.249655 0.130790 0.586170 H\n0.485820 0.472219 0.205855 H\n0.288888 0.903844 0.060371 H\n0.635878 0.750000 0.024314 H\n0.762249 0.084843 0.757792 H\n0.174411 0.131658 0.823641 H\n0.485820 0.027780 0.205855 H\n0.364122 0.250000 0.975686 H\n0.750345 0.869210 0.413831 H\n0.643426 0.750000 0.387025 C\n0.628222 0.412174 0.820608 C\n0.371778 0.912174 0.179393 C\n0.718607 0.750000 0.143350 C\n0.356575 0.250000 0.612975 C\n0.281394 0.250000 0.856651 C\n0.371778 0.587825 0.179393 C\n0.628222 0.087826 0.820608 C\n0.583912 0.250000 0.491361 Br\n0.416088 0.750000 0.508640 Br\n0.522504 0.750000 0.222910 N\n0.477496 0.250000 0.777090 N\n0.989539 0.097721 0.331042 F\n0.910583 0.750000 0.860731 F\n0.010461 0.597721 0.668959 F\n0.297444 0.750000 0.841447 F\n0.702556 0.250000 0.158554 F\n0.089418 0.250000 0.139270 F\n0.989539 0.402278 0.331042 F\n0.010461 0.902278 0.668959 F\n",
"nsites": 44,
"nelements": 6,
"elements": [
"B",
"H",
"C",
"Br",
"N",
"F"
],
"chemical_system": "B-Br-C-F-H-N",
"density": 1.9938732171204279,
"density_atomic": 0.11013862083748482,
"volume": 399.4965586587856,
"volume_molar": 5.467782975860918,
"formula_full": "B2 H22 C8 Br2 N2 F8",
"formula_reduced": "BH11C4BrNF4",
"formula_anonymous": "ABCD4E4F11",
"energy_above_hull": 3.5077095940151506,
"spacegroup": 11
},
{
"id": "jvasp-91330",
"created_at": "2022-09-04T14:36:01.274760Z",
"updated_at": "2022-09-04T14:36:01.274786Z",
"structure_string": "Cr6 B14 Br2 O26\n1.0\n7.457896 -0.000000 4.305819\n2.485966 7.031372 4.305819\n0.000000 0.000000 8.611637\nCr B Br O\n6 14 2 26\ndirect\n0.500001 0.500000 -0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.080223 0.759334 0.080222 B\n0.250001 0.750000 0.750000 B\n0.250001 0.750000 0.250000 B\n0.750001 0.250000 0.750000 B\n0.250000 0.250000 0.750000 B\n0.750001 0.250000 0.250000 B\n0.080222 0.080222 0.080222 B\n0.580223 0.580222 0.259334 B\n0.259334 0.580222 0.580223 B\n0.580223 0.259334 0.580223 B\n0.759334 0.080222 0.080222 B\n0.080222 0.080222 0.759334 B\n0.580223 0.580222 0.580223 B\n0.750001 0.750000 0.250000 B\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 O\n0.704660 0.935754 0.101796 O\n0.101796 0.257790 0.704659 O\n0.204659 0.601795 0.435755 O\n0.757790 0.204659 0.435755 O\n0.757791 0.601795 0.204659 O\n0.757791 0.435754 0.601796 O\n0.935755 0.704659 0.257790 O\n0.257790 0.704659 0.101796 O\n0.257791 0.935754 0.704659 O\n0.935755 0.101796 0.704659 O\n0.704659 0.101796 0.257790 O\n0.101796 0.704659 0.935755 O\n0.704659 0.257790 0.935755 O\n0.101796 0.935754 0.257790 O\n0.935755 0.257790 0.101796 O\n0.204659 0.435754 0.757790 O\n0.435755 0.204659 0.601796 O\n0.435755 0.757790 0.204659 O\n0.601796 0.204659 0.757790 O\n0.204660 0.757790 0.601796 O\n0.601796 0.435754 0.204659 O\n0.257790 0.101796 0.935755 O\n0.601796 0.757790 0.435755 O\n0.435755 0.601795 0.757790 O\n0.500001 0.500000 0.500000 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Cr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-Cr-O",
"density": 3.8209727634847814,
"density_atomic": 0.10629164399494628,
"volume": 451.58770902331884,
"volume_molar": 5.665676560884059,
"formula_full": "Cr6 B14 Br2 O26",
"formula_reduced": "Cr3B7BrO13",
"formula_anonymous": "AB3C7D13",
"energy_above_hull": 3.995678328680557,
"spacegroup": 219
},
{
"id": "jvasp-96258",
"created_at": "2022-09-04T14:36:09.519007Z",
"updated_at": "2022-09-04T14:36:09.519023Z",
"structure_string": "K3 B12 H12 Br1\n1.0\n6.783660 -0.005350 -0.416018\n-0.441985 6.769248 -0.416018\n-0.005017 -0.005350 6.796402\nK B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.873919 0.873918 0.164526 B\n0.873918 0.164527 0.873917 B\n0.835473 0.126082 0.126082 B\n0.126082 0.126082 0.835473 B\n0.126083 0.835473 0.126082 B\n0.062225 0.062225 0.241065 B\n0.164527 0.873918 0.873917 B\n0.241065 0.062225 0.062225 B\n0.758935 0.937775 0.937774 B\n0.937775 0.937775 0.758934 B\n0.937775 0.758935 0.937774 B\n0.062225 0.241065 0.062225 B\n0.278727 0.782033 0.782032 H\n0.721273 0.217967 0.217967 H\n0.217967 0.217967 0.721273 H\n0.217967 0.721273 0.217967 H\n0.892479 0.892479 0.588152 H\n0.411847 0.107521 0.107521 H\n0.588153 0.892479 0.892478 H\n0.107521 0.107521 0.411847 H\n0.107521 0.411847 0.107521 H\n0.782033 0.278727 0.782032 H\n0.892479 0.588153 0.892478 H\n0.782033 0.782033 0.278727 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 28,
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"elements": [
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"B",
"H",
"Br"
],
"chemical_system": "B-Br-H-K",
"density": 1.8041107746271903,
"density_atomic": 0.08973025416072006,
"volume": 312.0463689966585,
"volume_molar": 6.711382706231348,
"formula_full": "K3 B12 H12 Br1",
"formula_reduced": "K3B12H12Br",
"formula_anonymous": "AB3C12D12",
"energy_above_hull": 3.72874925375,
"spacegroup": 166
},
{
"id": "jvasp-23940",
"created_at": "2022-09-04T14:37:41.156495Z",
"updated_at": "2022-09-04T14:37:41.156528Z",
"structure_string": "K3 B6 Br1 O10\n1.0\n6.441568 -0.014474 -1.289183\n-1.569999 6.247328 -1.289183\n-0.011313 -0.014474 6.569297\nK B Br O\n3 6 1 10\ndirect\n0.071371 0.530248 0.071371 K\n0.071371 0.071371 0.530248 K\n0.530248 0.071371 0.071371 K\n0.641755 0.641755 0.380419 B\n0.641755 0.380419 0.641755 B\n0.380418 0.641755 0.641755 B\n0.519143 0.970539 0.519143 B\n0.519143 0.519143 0.970539 B\n0.970539 0.519143 0.519143 B\n0.003349 0.003349 0.003349 Br\n0.866585 0.633864 0.399491 O\n0.399491 0.866585 0.633864 O\n0.633864 0.399491 0.866585 O\n0.633864 0.866585 0.399491 O\n0.399491 0.633864 0.866585 O\n0.866585 0.399491 0.633864 O\n0.562568 0.562568 0.562568 O\n0.175461 0.507305 0.507305 O\n0.507305 0.175461 0.507305 O\n0.507304 0.507305 0.175461 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Br",
"O"
],
"chemical_system": "B-Br-K-O",
"density": 2.6549642747665345,
"density_atomic": 0.07576463181295642,
"volume": 263.9754133482085,
"volume_molar": 7.948485481810471,
"formula_full": "K3 B6 Br1 O10",
"formula_reduced": "K3B6BrO10",
"formula_anonymous": "AB3C6D10",
"energy_above_hull": 2.91535293025,
"spacegroup": 160
},
{
"id": "jvasp-51286",
"created_at": "2022-09-04T14:37:03.585407Z",
"updated_at": "2022-09-04T14:37:03.585429Z",
"structure_string": "Li1 B1 Br2\n1.0\n0.000000 3.592696 3.592696\n3.592696 0.000000 3.592696\n3.592696 3.592696 0.000000\nLi B Br\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.500001 0.500001 0.500001 B\n0.000000 0.000000 0.000000 Br\n0.750001 0.750001 0.750001 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"B",
"Br"
],
"chemical_system": "B-Br-Li",
"density": 3.1790900282504784,
"density_atomic": 0.04312892012942743,
"volume": 92.74519250647195,
"volume_molar": 13.963115102181783,
"formula_full": "Li1 B1 Br2",
"formula_reduced": "LiBBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3978026983333334,
"spacegroup": 216
},
{
"id": "jvasp-61305",
"created_at": "2022-09-04T14:36:17.277896Z",
"updated_at": "2022-09-04T14:36:17.277917Z",
"structure_string": "Mg4 B2 Br2 N4\n1.0\n3.317800 4.600232 0.006977\n-3.317800 4.600232 0.006977\n0.000000 2.166813 6.120650\nMg B Br N\n4 2 2 4\ndirect\n0.345895 0.142988 0.335442 Mg\n0.857011 0.654104 0.164559 Mg\n0.654104 0.857011 0.664559 Mg\n0.142988 0.345895 0.835442 Mg\n0.112150 0.887849 0.750000 B\n0.887849 0.112150 0.250000 B\n0.630915 0.369084 0.750000 Br\n0.369084 0.630915 0.250000 Br\n0.266937 0.042307 0.678819 N\n0.957692 0.733062 0.821182 N\n0.733062 0.957692 0.321182 N\n0.042307 0.266937 0.178819 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"B",
"Br",
"N"
],
"chemical_system": "B-Br-Mg-N",
"density": 2.9761202316299347,
"density_atomic": 0.06426241063528615,
"volume": 186.7343581009528,
"volume_molar": 9.3711715767682,
"formula_full": "Mg4 B2 Br2 N4",
"formula_reduced": "Mg2BBrN2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.192758548055555,
"spacegroup": 15
},
{
"id": "jvasp-115477",
"created_at": "2022-09-04T14:38:48.526185Z",
"updated_at": "2022-09-04T14:38:48.526211Z",
"structure_string": "B2 Br2 N2\n1.0\n2.648200 0.000000 0.000000\n0.000000 3.094928 0.000000\n0.000000 0.000000 10.611844\nB Br N\n2 2 2\ndirect\n0.500001 0.000000 0.012732 B\n0.000000 0.500001 0.987268 B\n0.500001 0.500001 0.657733 Br\n0.000000 0.000000 0.342266 Br\n0.500001 0.500001 0.061734 N\n0.000000 0.000000 0.938265 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-Br-N",
"density": 3.9987438810877327,
"density_atomic": 0.06898569787375752,
"volume": 86.97454957953579,
"volume_molar": 8.729549668426056,
"formula_full": "B2 Br2 N2",
"formula_reduced": "BBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.798143312777777,
"spacegroup": 59
}
]
}