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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3655",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3653",
"results": [
{
"id": "jvasp-62535",
"created_at": "2022-09-04T14:36:10.982438Z",
"updated_at": "2022-09-04T14:36:10.982460Z",
"structure_string": "Tb10 B2 Br15\n1.0\n8.959075 -0.008841 0.000092\n-3.459518 9.088318 0.005814\n-4.379009 -1.895159 9.392372\nTb B Br\n10 2 15\ndirect\n0.275094 0.924338 0.950473 Tb\n0.801544 0.411473 0.279987 Tb\n0.674888 0.743523 0.819693 Tb\n0.325111 0.256477 0.180306 Tb\n0.525020 0.701587 0.096606 Tb\n0.198454 0.588527 0.720012 Tb\n0.584016 0.038123 0.325717 Tb\n0.415983 0.961877 0.674282 Tb\n0.724905 0.075662 0.049526 Tb\n0.474979 0.298413 0.903394 Tb\n0.532573 0.181780 0.123800 B\n0.467425 0.818220 0.876200 B\n0.717897 0.243622 0.819958 Br\n0.356615 0.116464 0.418168 Br\n0.885973 0.295833 0.534421 Br\n0.114026 0.704167 0.465578 Br\n0.282102 0.756378 0.180041 Br\n0.062490 0.348107 0.232564 Br\n0.841855 0.942396 0.301516 Br\n0.594524 0.541865 0.350937 Br\n0.405475 0.458135 0.649062 Br\n0.777181 0.592730 0.059227 Br\n0.222818 0.407270 0.940772 Br\n0.643384 0.883536 0.581831 Br\n0.158144 0.057604 0.698483 Br\n0.937509 0.651893 0.767435 Br\n0.000000 0.000000 0.000000 Br\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 6.101698340968513,
"density_atomic": 0.03531395292829714,
"volume": 764.5703117637913,
"volume_molar": 17.053148290217166,
"formula_full": "Tb10 B2 Br15",
"formula_reduced": "Tb10B2Br15",
"formula_anonymous": "A2B10C15",
"energy_above_hull": 0.9840855830246912,
"spacegroup": 2
},
{
"id": "jvasp-51320",
"created_at": "2022-09-04T14:36:59.980982Z",
"updated_at": "2022-09-04T14:36:59.981008Z",
"structure_string": "B1 Pd2 Br1\n1.0\n-0.000002 3.163675 3.163665\n3.163668 -0.000001 3.163664\n3.163671 3.163676 -0.000004\nB Pd Br\n1 2 1\ndirect\n0.500001 0.500000 0.500000 B\n0.000000 0.999999 0.000003 Pd\n0.750001 0.750000 0.750001 Pd\n0.249999 0.250001 0.249999 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Pd",
"Br"
],
"chemical_system": "B-Br-Pd",
"density": 7.959440708278904,
"density_atomic": 0.06316202643039216,
"volume": 63.329190433878935,
"volume_molar": 9.53443247524161,
"formula_full": "B1 Pd2 Br1",
"formula_reduced": "BPd2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.168912022083333,
"spacegroup": 216
},
{
"id": "jvasp-87243",
"created_at": "2022-09-04T14:35:59.234541Z",
"updated_at": "2022-09-04T14:35:59.234560Z",
"structure_string": "Sr10 B6 Br2 O18\n1.0\n7.578758 0.000000 0.000000\n0.000000 8.217208 -2.901227\n-0.000000 0.033918 8.714269\nSr B Br O\n10 6 2 18\ndirect\n0.500000 0.757410 0.757409 Sr\n0.571114 0.266508 0.006657 Sr\n0.750000 0.363055 0.636945 Sr\n0.750000 0.635891 0.364109 Sr\n0.071114 0.733492 0.993343 Sr\n0.000000 0.242591 0.242590 Sr\n0.928886 0.993343 0.733492 Sr\n0.250000 0.636945 0.363055 Sr\n0.250000 0.364110 0.635891 Sr\n0.428886 0.006657 0.266508 Sr\n0.500000 0.372059 0.372059 B\n0.000000 0.627942 0.627941 B\n0.472277 0.593395 0.016180 B\n0.527724 0.016181 0.593395 B\n0.972277 0.406606 0.983820 B\n0.027723 0.983820 0.406605 B\n0.750000 0.938279 0.061721 Br\n0.250000 0.061722 0.938279 Br\n0.838990 0.694348 0.691486 O\n0.013425 0.516504 0.138191 O\n0.384490 0.735972 0.029409 O\n0.338990 0.305653 0.308514 O\n0.884490 0.264028 0.970591 O\n0.661011 0.308514 0.305652 O\n0.014026 0.442687 0.844475 O\n0.115511 0.970591 0.264028 O\n0.500000 0.510578 0.510578 O\n0.514026 0.557314 0.155524 O\n0.485974 0.155525 0.557314 O\n0.513425 0.483496 0.861809 O\n0.486575 0.861810 0.483496 O\n0.986576 0.138191 0.516504 O\n0.161011 0.691486 0.694348 O\n0.000000 0.489423 0.489422 O\n0.985974 0.844476 0.442686 O\n0.615511 0.029410 0.735972 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-O-Sr",
"density": 4.243838801148533,
"density_atomic": 0.06624495535309238,
"volume": 543.4376068051721,
"volume_molar": 9.090716006828558,
"formula_full": "Sr10 B6 Br2 O18",
"formula_reduced": "Sr5B3BrO9",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.082214161388889,
"spacegroup": 20
},
{
"id": "jvasp-62575",
"created_at": "2022-09-04T14:36:10.916773Z",
"updated_at": "2022-09-04T14:36:10.916804Z",
"structure_string": "Sr2 B1 Br1 N2\n1.0\n8.962485 -2.057158 0.012915\n8.962485 2.057158 0.012915\n8.485218 0.000000 3.543907\nSr B Br N\n2 1 1 2\ndirect\n0.751369 0.751369 0.751367 Sr\n0.248632 0.248632 0.248631 Sr\n0.500001 0.500001 0.499999 B\n0.000000 0.000000 0.000000 Br\n0.550495 0.550495 0.550493 N\n0.449506 0.449506 0.449505 N\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N-Sr",
"density": 3.7483690654703903,
"density_atomic": 0.04607271966747411,
"volume": 130.22890863192978,
"volume_molar": 13.070946980044337,
"formula_full": "Sr2 B1 Br1 N2",
"formula_reduced": "Sr2BBrN2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.246339301388889,
"spacegroup": 166
},
{
"id": "jvasp-95038",
"created_at": "2022-09-04T14:36:10.721957Z",
"updated_at": "2022-09-04T14:36:10.721983Z",
"structure_string": "Sr2 B1 Br1 N2\n1.0\n-2.057078 -3.562962 0.000000\n2.057078 -3.562962 0.000000\n-0.000000 -2.375308 8.883991\nSr B Br N\n2 1 1 2\ndirect\n0.248629 0.248629 0.254111 Sr\n0.751371 0.751371 0.745889 Sr\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Br\n0.449509 0.449509 0.651472 N\n0.550491 0.550491 0.348528 N\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N-Sr",
"density": 3.7484324638551483,
"density_atomic": 0.04607349892265344,
"volume": 130.22670603056625,
"volume_molar": 13.070725907120181,
"formula_full": "Sr2 B1 Br1 N2",
"formula_reduced": "Sr2BBrN2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.246347634722222,
"spacegroup": 166
},
{
"id": "jvasp-115479",
"created_at": "2022-09-04T14:38:49.194436Z",
"updated_at": "2022-09-04T14:38:49.194466Z",
"structure_string": "B1 Br1 N1\n1.0\n2.613982 0.000000 0.000000\n0.000000 5.455845 0.000000\n0.000000 0.000000 4.122332\nB Br N\n1 1 1\ndirect\n0.000000 0.000000 -0.013406 B\n0.500000 0.500000 0.486785 Br\n0.500000 0.000000 -0.013380 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N",
"density": 2.957863984343787,
"density_atomic": 0.05102860229200367,
"volume": 58.790557946951814,
"volume_molar": 11.801500510516014,
"formula_full": "B1 Br1 N1",
"formula_reduced": "BBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.723993312777777,
"spacegroup": 47
},
{
"id": "jvasp-115474",
"created_at": "2022-09-04T14:38:50.036711Z",
"updated_at": "2022-09-04T14:38:50.036727Z",
"structure_string": "B1 Br1 N1\n1.0\n3.982786 -0.000000 -0.000000\n-1.991393 3.449194 0.000000\n0.000000 0.000000 3.301693\nB Br N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N",
"density": 3.8339328173635243,
"density_atomic": 0.06614240343269466,
"volume": 45.3566826166628,
"volume_molar": 9.104810904139617,
"formula_full": "B1 Br1 N1",
"formula_reduced": "BBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.7074433127777775,
"spacegroup": 187
},
{
"id": "jvasp-115476",
"created_at": "2022-09-04T14:38:28.512450Z",
"updated_at": "2022-09-04T14:38:28.512482Z",
"structure_string": "B1 Br1 N2\n1.0\n2.667285 0.000000 0.000000\n0.000000 2.667285 0.000000\n0.000000 0.000000 6.085138\nB Br N\n1 1 2\ndirect\n0.499999 0.499999 0.573918 B\n0.000000 0.000000 0.154063 Br\n0.000000 0.000000 0.479064 N\n0.499999 0.499999 0.802956 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N",
"density": 4.554014779544221,
"density_atomic": 0.09239547752690386,
"volume": 43.29216220388356,
"volume_molar": 6.517787364913465,
"formula_full": "B1 Br1 N2",
"formula_reduced": "BBrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0340682970833335,
"spacegroup": 99
},
{
"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": [
"B",
"Br",
"N"
],
"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
},
{
"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": [
"Mg",
"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-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-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": [
"K",
"B",
"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
}
]
}