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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4533",
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{
"id": "jvasp-90934",
"created_at": "2022-09-04T14:36:09.148521Z",
"updated_at": "2022-09-04T14:36:09.148547Z",
"structure_string": "Al1 Si1 Tc2\n1.0\n-8.313953 -0.000000 -4.800062\n-8.679234 -0.002182 5.432749\n-5.663368 8.527978 0.209114\nAl Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Si\n0.736166 0.000000 0.000000 Tc\n0.263834 0.000000 0.000000 Tc\n",
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"elements": [
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{
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"structure_string": "Al1 Si1 Ru2\n1.0\n-0.000090 2.965492 2.965492\n2.965492 -0.000090 2.965492\n2.965492 2.965492 -0.000090\nAl Si Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Al\n0.749999 0.749999 0.749999 Si\n-0.000001 -0.000001 -0.000001 Ru\n0.500001 0.500001 0.500001 Ru\n",
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"volume": 52.160294671312556,
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"formula_full": "Al1 Si1 Ru2",
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{
"id": "jvasp-21270",
"created_at": "2022-09-04T14:37:29.864224Z",
"updated_at": "2022-09-04T14:37:29.864256Z",
"structure_string": "Al4 Si4 P12\n1.0\n5.922357 -0.000000 0.000000\n0.000000 6.151006 0.000000\n0.000000 0.000000 9.971882\nAl Si P\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000126 0.561936 0.750000 Si\n-0.000126 0.438065 0.250000 Si\n0.499874 0.061935 0.250000 Si\n0.500126 0.938065 0.750000 Si\n0.111450 0.085597 0.250000 P\n0.888550 0.914404 0.750000 P\n0.610939 0.892304 0.441307 P\n0.110938 0.607697 0.058693 P\n0.889062 0.392303 0.558693 P\n0.110938 0.607697 0.441307 P\n0.389062 0.107697 0.558693 P\n0.610939 0.892304 0.058693 P\n0.611451 0.414404 0.250000 P\n0.388550 0.585597 0.750000 P\n0.389062 0.107697 0.941307 P\n0.889062 0.392303 0.941307 P\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Al-P-Si",
"density": 2.705943209957458,
"density_atomic": 0.05505694773086663,
"volume": 363.26023915756195,
"volume_molar": 10.93802146359051,
"formula_full": "Al4 Si4 P12",
"formula_reduced": "AlSiP3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-104762",
"created_at": "2022-09-04T14:36:58.518612Z",
"updated_at": "2022-09-04T14:36:58.518632Z",
"structure_string": "Al1 Si1 Ni6\n1.0\n3.528538 0.000000 0.000000\n0.000000 3.528538 0.000000\n0.000000 -0.000000 7.035706\nAl Si Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.256390 Ni\n0.500000 0.000000 0.743611 Ni\n-0.000000 0.500000 0.256390 Ni\n-0.000000 0.500000 0.743611 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Si",
"Ni"
],
"chemical_system": "Al-Ni-Si",
"density": 7.7194942677580665,
"density_atomic": 0.09132563611594992,
"volume": 87.59862334649327,
"volume_molar": 6.594140502185058,
"formula_full": "Al1 Si1 Ni6",
"formula_reduced": "AlSiNi6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.553954475,
"spacegroup": 123
},
{
"id": "jvasp-106847",
"created_at": "2022-09-04T14:36:53.229025Z",
"updated_at": "2022-09-04T14:36:53.229043Z",
"structure_string": "Al3 Si3 Mo3\n1.0\n4.768829 0.000000 0.000000\n-2.384414 4.129928 0.000000\n-0.000000 0.000000 6.614970\nAl Si Mo\n3 3 3\ndirect\n0.332434 0.166217 0.500000 Al\n0.833783 0.166217 0.166667 Al\n0.833784 0.667567 0.833333 Al\n0.675765 0.837882 0.500000 Si\n0.162120 0.837882 0.166667 Si\n0.162119 0.324237 0.833333 Si\n0.010556 0.505278 0.500000 Mo\n0.494723 0.505278 0.166667 Mo\n0.494724 0.989445 0.833333 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Al",
"Si",
"Mo"
],
"chemical_system": "Al-Mo-Si",
"density": 5.774115059951049,
"density_atomic": 0.06908128387230893,
"volume": 130.28130769306142,
"volume_molar": 8.71747081471652,
"formula_full": "Al3 Si3 Mo3",
"formula_reduced": "AlSiMo",
"formula_anonymous": "ABC",
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"spacegroup": 153
},
{
"id": "jvasp-104761",
"created_at": "2022-09-04T14:36:58.147460Z",
"updated_at": "2022-09-04T14:36:58.147477Z",
"structure_string": "Al1 Si1 C1 N1\n1.0\n3.105406 -0.000000 0.000000\n-1.552702 2.689361 0.000000\n-0.000000 -0.000000 5.056396\nAl Si C N\n1 1 1 1\ndirect\n0.333334 0.666667 0.506769 Al\n0.666668 0.333333 0.997254 Si\n0.333334 0.666667 0.109163 C\n0.666668 0.333333 0.636816 N\n",
"nsites": 4,
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"elements": [
"Al",
"Si",
"C",
"N"
],
"chemical_system": "Al-C-N-Si",
"density": 3.1884384822260974,
"density_atomic": 0.09472212267966224,
"volume": 42.22878338070478,
"volume_molar": 6.357691941053822,
"formula_full": "Al1 Si1 C1 N1",
"formula_reduced": "AlSiCN",
"formula_anonymous": "ABCD",
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"spacegroup": 156
},
{
"id": "jvasp-108159",
"created_at": "2022-09-04T14:38:04.181539Z",
"updated_at": "2022-09-04T14:38:04.181562Z",
"structure_string": "Al1 Si3 W2\n1.0\n3.244546 0.000000 0.000000\n0.000000 3.244546 0.000000\n-0.000000 0.000000 8.097303\nAl Si W\n1 3 2\ndirect\n0.500001 0.500001 0.168038 Al\n0.000000 0.000000 0.665961 Si\n0.000000 0.000000 0.335949 Si\n0.500001 0.500001 0.837030 Si\n0.000000 0.000000 0.988519 W\n0.500001 0.500001 0.504503 W\n",
"nsites": 6,
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"elements": [
"Al",
"Si",
"W"
],
"chemical_system": "Al-Si-W",
"density": 9.329578649706834,
"density_atomic": 0.07038870706605448,
"volume": 85.24094631216133,
"volume_molar": 8.555549620123974,
"formula_full": "Al1 Si3 W2",
"formula_reduced": "AlSi3W2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.965024766666667,
"spacegroup": 99
},
{
"id": "jvasp-35236",
"created_at": "2022-09-04T14:38:04.830155Z",
"updated_at": "2022-09-04T14:38:04.830174Z",
"structure_string": "Al1 Si1\n1.0\n3.199908 0.000000 -0.000000\n0.000000 3.199908 0.000000\n0.000000 0.000000 3.199908\nAl Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Si"
],
"chemical_system": "Al-Si",
"density": 2.790797610911487,
"density_atomic": 0.061040420834937284,
"volume": 32.76517384125363,
"volume_molar": 9.865824444894962,
"formula_full": "Al1 Si1",
"formula_reduced": "AlSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7736206999999995,
"spacegroup": 221
},
{
"id": "jvasp-85754",
"created_at": "2022-09-04T14:35:59.260376Z",
"updated_at": "2022-09-04T14:35:59.260400Z",
"structure_string": "Al2 Se2 Cl14\n1.0\n6.272476 -0.022876 1.496909\n0.875423 8.128366 0.501073\n0.222430 -0.055909 9.742015\nAl Se Cl\n2 2 14\ndirect\n0.184324 0.974619 0.513887 Al\n0.477045 0.406389 0.943675 Al\n0.867265 0.370227 0.306571 Se\n0.010804 0.003867 0.979345 Se\n0.656414 0.175800 0.870384 Cl\n0.777243 0.010026 0.192949 Cl\n0.289796 0.892143 0.052742 Cl\n0.933643 0.781172 0.894718 Cl\n-0.067915 0.516550 0.724047 Cl\n-0.025140 0.597589 0.341519 Cl\n0.480441 0.588809 0.772898 Cl\n0.553239 0.509994 0.120135 Cl\n0.626870 0.336042 0.499296 Cl\n0.258423 0.171159 0.349676 Cl\n0.396792 0.762875 0.434464 Cl\n0.853673 0.937087 0.551681 Cl\n0.136913 0.356084 0.012860 Cl\n0.266971 0.069766 0.697356 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"Se",
"Cl"
],
"chemical_system": "Al-Cl-Se",
"density": 2.379265597957339,
"density_atomic": 0.03641623411057772,
"volume": 494.285047304537,
"volume_molar": 16.536967391284335,
"formula_full": "Al2 Se2 Cl14",
"formula_reduced": "AlSeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4086994043518519,
"spacegroup": 1
},
{
"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": [
"Al",
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"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",
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"spacegroup": 7
},
{
"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,
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"elements": [
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"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",
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"spacegroup": 14
},
{
"id": "jvasp-123640",
"created_at": "2022-09-04T14:38:55.094929Z",
"updated_at": "2022-09-04T14:38:55.094946Z",
"structure_string": "Al1 Se2\n1.0\n1.982696 -3.269382 -0.347936\n1.840021 3.187009 -0.000000\n-0.472872 0.273013 5.443576\nAl Se\n1 2\ndirect\n0.000000 0.333341 0.166667 Al\n0.742560 0.704610 0.420453 Se\n0.257442 -0.037950 0.912880 Se\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Al-Se",
"density": 4.620894081310615,
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"volume": 66.44519933091904,
"volume_molar": 13.338078106568409,
"formula_full": "Al1 Se2",
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"spacegroup": 12
}
]
}