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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=209",
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"results": [
{
"id": "jvasp-14223",
"created_at": "2022-09-04T14:35:49.639675Z",
"updated_at": "2022-09-04T14:35:49.639721Z",
"structure_string": "Nd3 Al9 Br36\n1.0\n5.133204 -8.890972 -0.000000\n5.133204 8.890972 0.000000\n-0.000000 -0.000000 18.398225\nNd Al Br\n3 9 36\ndirect\n0.274776 0.274776 0.500000 Nd\n-0.000000 0.725223 0.166667 Nd\n0.725223 -0.000000 0.833333 Nd\n0.688442 0.317263 0.108749 Al\n0.628821 0.311557 0.775415 Al\n0.893323 0.893323 0.000000 Al\n-0.000000 0.106677 0.666667 Al\n0.682736 0.371178 0.442082 Al\n0.371178 0.682736 0.557918 Al\n0.311557 0.628821 0.224585 Al\n0.106677 -0.000000 0.333333 Al\n0.317263 0.688442 0.891251 Al\n0.029967 0.249243 0.770134 Br\n0.201398 0.074527 0.636445 Br\n0.873128 0.798601 0.303112 Br\n0.970032 0.219275 0.563201 Br\n0.780723 0.750756 0.896534 Br\n0.249243 0.029967 0.229867 Br\n0.219275 0.970032 0.436800 Br\n0.411886 0.296757 0.814296 Br\n0.296757 0.411886 0.185705 Br\n0.588113 0.884871 0.519039 Br\n0.115128 0.703242 0.852372 Br\n0.703242 0.115128 0.147629 Br\n0.925473 0.126871 0.969778 Br\n0.884871 0.588113 0.480962 Br\n0.718432 0.214475 0.368545 Br\n0.750756 0.780723 0.103466 Br\n0.126871 0.925473 0.030222 Br\n0.922730 0.495193 0.052901 Br\n0.074527 0.201398 0.363555 Br\n0.503958 0.785524 0.298122 Br\n0.281567 0.496041 0.964788 Br\n0.214475 0.718432 0.631455 Br\n0.537259 0.236290 0.544406 Br\n0.763709 0.300968 0.877740 Br\n0.699031 0.462740 0.211072 Br\n0.462740 0.699031 0.788928 Br\n0.236290 0.537259 0.455594 Br\n0.300968 0.763709 0.122261 Br\n0.504806 0.427536 0.386235 Br\n0.572463 0.077269 0.719568 Br\n0.785524 0.503958 0.701878 Br\n0.495193 0.922730 0.947100 Br\n0.427536 0.504806 0.613765 Br\n0.077269 0.572463 0.280432 Br\n0.798601 0.873128 0.696888 Br\n0.496041 0.281567 0.035212 Br\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Br"
],
"chemical_system": "Al-Br-Nd",
"density": 3.5122956320781724,
"density_atomic": 0.02858232475593803,
"volume": 1679.3595485975266,
"volume_molar": 21.069457475634096,
"formula_full": "Nd3 Al9 Br36",
"formula_reduced": "Nd(AlBr4)3",
"formula_anonymous": "AB3C12",
"energy_above_hull": 0.3591461975,
"spacegroup": 152
},
{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Se",
"Br",
"N"
],
"chemical_system": "Al-Br-N-Se",
"density": 3.559508440951433,
"density_atomic": 0.03576018459866326,
"volume": 671.1374750816342,
"volume_molar": 16.84035143438581,
"formula_full": "Al4 Se4 Br12 N4",
"formula_reduced": "AlSeBr3N",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.375495288611111,
"spacegroup": 14
},
{
"id": "jvasp-109486",
"created_at": "2022-09-04T14:38:16.529733Z",
"updated_at": "2022-09-04T14:38:16.529764Z",
"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n6.869209 -0.000000 3.965940\n2.289736 6.476352 3.965940\n-0.000000 -0.000000 7.931879\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.775632 0.224368 0.224369 Br\n0.224369 0.224368 0.775631 Br\n0.224369 0.775631 0.775631 Br\n0.224369 0.775631 0.224368 Br\n0.775632 0.224368 0.775631 Br\n0.775632 0.775631 0.224368 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-Rb-Tl",
"density": 4.149241563635046,
"density_atomic": 0.028339145041462878,
"volume": 352.86879633697646,
"volume_molar": 21.25025561353045,
"formula_full": "Rb2 Al1 Tl1 Br6",
"formula_reduced": "Rb2AlTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5656",
"created_at": "2022-09-04T14:38:05.058526Z",
"updated_at": "2022-09-04T14:38:05.058543Z",
"structure_string": "Al2 Se2 Br14\n1.0\n0.000000 7.137400 -0.291843\n6.668313 0.000000 0.000000\n0.000000 -3.368523 -12.581101\nAl Se Br\n2 2 14\ndirect\n0.678844 0.000029 0.341354 Al\n0.678844 -0.000029 0.841354 Al\n0.007258 0.597871 0.491164 Se\n0.007258 0.402129 0.991164 Se\n0.451670 0.832305 0.215817 Br\n0.451670 0.167695 0.715817 Br\n0.638736 0.344185 0.327845 Br\n0.638736 0.655815 0.827845 Br\n0.663516 0.874517 0.506249 Br\n0.663516 0.125482 0.006249 Br\n-0.014501 0.072791 0.814777 Br\n0.950548 0.624427 0.123257 Br\n0.206427 0.836244 0.601056 Br\n0.206427 0.163756 0.101056 Br\n0.252801 0.425774 0.428582 Br\n0.950549 0.375573 0.623257 Br\n0.252801 0.574226 0.928582 Br\n-0.014501 0.927208 0.314777 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Al-Br-Se",
"density": 3.649835597811827,
"density_atomic": 0.029735077600664992,
"volume": 605.3456541037394,
"volume_molar": 20.252648541483282,
"formula_full": "Al2 Se2 Br14",
"formula_reduced": "AlSeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2597049890740741,
"spacegroup": 7
},
{
"id": "jvasp-99160",
"created_at": "2022-09-04T14:36:32.211697Z",
"updated_at": "2022-09-04T14:36:32.211727Z",
"structure_string": "Al4 Tl4 Br16\n1.0\n7.407741 0.000000 0.000000\n0.000000 8.221310 -2.502630\n0.000000 0.146377 13.267560\nAl Tl Br\n4 4 16\ndirect\n0.783332 0.289113 0.546677 Al\n0.216668 0.710888 0.453323 Al\n0.783332 0.710888 0.953323 Al\n0.216668 0.289112 0.046677 Al\n0.107111 0.000000 0.250000 Tl\n0.358739 0.500000 0.750000 Tl\n0.641261 0.500000 0.250000 Tl\n0.892889 0.000000 0.750000 Tl\n0.256319 0.202298 0.864971 Br\n0.733071 0.434295 0.893122 Br\n0.743681 0.202298 0.364971 Br\n0.425964 0.847023 0.377609 Br\n0.743681 0.797703 0.135030 Br\n0.071082 0.782299 0.911665 Br\n0.256319 0.797703 0.635030 Br\n0.071082 0.217702 0.588335 Br\n0.425964 0.152977 0.122391 Br\n0.266929 0.565705 0.106878 Br\n0.928918 0.782299 0.411665 Br\n0.928918 0.217702 0.088335 Br\n0.266929 0.434295 0.393122 Br\n0.574036 0.847023 0.877609 Br\n0.574036 0.152977 0.622391 Br\n0.733071 0.565706 0.606878 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-Tl",
"density": 4.514104438264317,
"density_atomic": 0.029603104613623334,
"volume": 810.7257773549607,
"volume_molar": 20.342936454133305,
"formula_full": "Al4 Tl4 Br16",
"formula_reduced": "AlTlBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-18541",
"created_at": "2022-09-04T14:37:02.623471Z",
"updated_at": "2022-09-04T14:37:02.623490Z",
"structure_string": "Al2 B2 Ru3\n1.0\n2.942844 0.000000 0.000000\n0.000000 2.989205 -0.520602\n0.000000 0.037643 9.058189\nAl B Ru\n2 2 3\ndirect\n0.499999 0.579214 0.158426 Al\n0.499999 0.420787 0.841574 Al\n0.499999 0.722913 0.445824 B\n0.499999 0.277088 0.554176 B\n0.000000 0.825597 0.651193 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.174404 0.348807 Ru\n",
"nsites": 7,
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],
"chemical_system": "Al-B-Ru",
"density": 7.888145173999919,
"density_atomic": 0.08778483780330101,
"volume": 79.74042186743979,
"volume_molar": 6.860114924964351,
"formula_full": "Al2 B2 Ru3",
"formula_reduced": "Al2B2Ru3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.149636038095239,
"spacegroup": 65
},
{
"id": "jvasp-26046",
"created_at": "2022-09-04T14:38:35.401543Z",
"updated_at": "2022-09-04T14:38:35.401560Z",
"structure_string": "Al6 B4 Ru8\n1.0\n8.557340 0.000000 0.000000\n-0.000000 8.557340 -0.000000\n-0.000000 0.000000 2.943564\nAl B Ru\n6 4 8\ndirect\n0.000000 0.000000 0.499999 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.346740 0.499999 Al\n0.346740 0.000000 0.499999 Al\n0.653260 0.000000 0.499999 Al\n0.000000 0.653260 0.499999 Al\n0.693437 0.693437 0.499999 B\n0.693437 0.306564 0.499999 B\n0.306564 0.306564 0.499999 B\n0.306564 0.693437 0.499999 B\n0.243489 0.500000 0.000000 Ru\n0.823611 0.823611 0.000000 Ru\n0.823611 0.176389 0.000000 Ru\n0.176389 0.823611 0.000000 Ru\n0.176389 0.176389 0.000000 Ru\n0.500000 0.756511 0.000000 Ru\n0.756511 0.500000 0.000000 Ru\n0.500000 0.243489 0.000000 Ru\n",
"nsites": 18,
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"elements": [
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"density": 7.809164762721847,
"density_atomic": 0.08350672407085118,
"volume": 215.55150438817265,
"volume_molar": 7.2115638914185185,
"formula_full": "Al6 B4 Ru8",
"formula_reduced": "Al3(BRu2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 123
},
{
"id": "jvasp-63752",
"created_at": "2022-09-04T14:36:11.594013Z",
"updated_at": "2022-09-04T14:36:11.594042Z",
"structure_string": "Yb4 Al4 B16\n1.0\n3.470979 0.000000 0.000000\n0.000000 6.003061 -0.000000\n0.000000 -0.000000 11.618414\nYb Al B\n4 4 16\ndirect\n0.000000 0.127780 0.849719 Yb\n0.000000 0.872220 0.150280 Yb\n0.000000 0.372220 0.349720 Yb\n0.000000 0.627780 0.650280 Yb\n0.000000 0.140763 0.592140 Al\n0.000000 0.859237 0.407860 Al\n0.000000 0.359237 0.092140 Al\n0.000000 0.640763 0.907860 Al\n0.500000 0.527109 0.192238 B\n0.500000 0.472891 0.807762 B\n0.500000 0.886015 0.546790 B\n0.500000 0.113985 0.453210 B\n0.500000 0.613985 0.046790 B\n0.500000 0.386015 0.953210 B\n0.500000 0.865829 0.969220 B\n0.500000 0.789716 0.812255 B\n0.500000 0.634171 0.469220 B\n0.500000 0.365829 0.530780 B\n0.500000 0.027109 0.307762 B\n0.500000 0.210284 0.187745 B\n0.500000 0.710284 0.312255 B\n0.500000 0.289716 0.687745 B\n0.500000 0.134171 0.030780 B\n0.500000 0.972891 0.692238 B\n",
"nsites": 24,
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],
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"spacegroup": 55
},
{
"id": "jvasp-63323",
"created_at": "2022-09-04T14:35:48.385071Z",
"updated_at": "2022-09-04T14:35:48.385099Z",
"structure_string": "Yb2 Al2 B8\n1.0\n3.692084 -4.728496 0.000000\n3.692084 4.728496 0.000000\n0.000000 0.000000 3.468895\nYb Al B\n2 2 8\ndirect\n0.300222 0.699777 0.000000 Yb\n0.699777 0.300222 0.000000 Yb\n0.815130 0.815130 0.000000 Al\n0.184869 0.184869 0.000000 Al\n0.937345 0.618775 0.500001 B\n0.062654 0.381224 0.500001 B\n0.381224 0.062654 0.500001 B\n0.618775 0.937345 0.500001 B\n0.379368 0.379368 0.500001 B\n0.620631 0.620631 0.500001 B\n0.091932 0.908066 0.500001 B\n0.908066 0.091932 0.500001 B\n",
"nsites": 12,
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],
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"density": 6.670277995022016,
"density_atomic": 0.09907532297277433,
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"formula_full": "Yb2 Al2 B8",
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"spacegroup": 65
},
{
"id": "jvasp-95052",
"created_at": "2022-09-04T14:36:14.910445Z",
"updated_at": "2022-09-04T14:36:14.910473Z",
"structure_string": "Yb1 Al1 B4\n1.0\n-3.136235 0.000000 0.000000\n0.000000 0.000000 -3.597380\n0.000000 -5.389764 0.000000\nYb Al B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.000000 0.500000 Al\n0.499999 0.500000 0.182870 B\n0.499999 0.500000 0.817129 B\n0.000000 0.500000 0.341727 B\n0.000000 0.500000 0.658272 B\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.643011826152343,
"density_atomic": 0.09867033168320452,
"volume": 60.808552050517825,
"volume_molar": 6.103294331000083,
"formula_full": "Yb1 Al1 B4",
"formula_reduced": "YbAlB4",
"formula_anonymous": "ABC4",
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"spacegroup": 47
},
{
"id": "jvasp-63201",
"created_at": "2022-09-04T14:35:48.850459Z",
"updated_at": "2022-09-04T14:35:48.850488Z",
"structure_string": "Yb1 Al1 B4\n1.0\n3.136177 -0.000000 0.000000\n-0.000000 3.597887 0.000000\n0.000000 0.000000 5.389665\nYb Al B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.182850 B\n0.500000 0.500000 0.817151 B\n0.000000 0.500000 0.341714 B\n0.000000 0.500000 0.658287 B\n",
"nsites": 6,
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"volume": 60.81488035911118,
"volume_molar": 6.103929497085447,
"formula_full": "Yb1 Al1 B4",
"formula_reduced": "YbAlB4",
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"spacegroup": 47
},
{
"id": "jvasp-51351",
"created_at": "2022-09-04T14:36:52.894035Z",
"updated_at": "2022-09-04T14:36:52.894067Z",
"structure_string": "Al4 C3\n1.0\n-3.187027 -0.009497 0.000971\n1.182665 4.925845 -0.024266\n-0.331773 -2.251916 -5.112723\nAl C\n4 3\ndirect\n0.041355 0.166595 0.751066 Al\n0.638792 0.211628 0.206909 Al\n0.258509 0.661903 0.692217 Al\n0.941285 0.749544 0.228082 Al\n0.076334 0.984394 0.003698 C\n0.624052 0.346853 0.615262 C\n0.491247 0.947020 0.481974 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
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],
"chemical_system": "Al-C",
"density": 2.9740042292378575,
"density_atomic": 0.08708712479946874,
"volume": 80.37927553721124,
"volume_molar": 6.915075878170153,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.077694457142857,
"spacegroup": 1
}
]
}