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{
"id": "jvasp-35769",
"created_at": "2022-09-04T14:37:35.150145Z",
"updated_at": "2022-09-04T14:37:35.150173Z",
"structure_string": "Al1 Bi1\n1.0\n3.223735 3.223735 -0.000000\n3.223735 0.000000 -3.223735\n-0.000000 3.223735 -3.223735\nAl Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.750001 0.750001 0.750001 Bi\n",
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{
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"structure_string": "Al1 B2\n1.0\n1.504454 -2.605791 -0.000000\n1.504454 2.605791 -0.000000\n-0.000000 0.000000 3.297557\nAl B\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666666 0.333332 0.500000 B\n0.333332 0.666666 0.500000 B\n",
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{
"id": "jvasp-114247",
"created_at": "2022-09-04T14:38:41.005163Z",
"updated_at": "2022-09-04T14:38:41.005186Z",
"structure_string": "Al1 B1\n1.0\n3.696879 0.000000 -0.000000\n-1.848440 3.201592 0.000000\n0.000000 0.000000 2.639454\nAl B\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666666 0.000000 B\n",
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},
{
"id": "jvasp-114249",
"created_at": "2022-09-04T14:38:39.995563Z",
"updated_at": "2022-09-04T14:38:39.995587Z",
"structure_string": "Al1 B2\n1.0\n3.583909 -0.000000 0.000000\n-1.791954 3.103756 -0.000000\n-0.000000 -0.000000 3.615880\nAl B\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333336 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.0745869244488502,
"volume": 40.2215270594422,
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"formula_full": "Al1 B2",
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"spacegroup": 191
},
{
"id": "jvasp-114250",
"created_at": "2022-09-04T14:38:40.019267Z",
"updated_at": "2022-09-04T14:38:40.019289Z",
"structure_string": "Al2 B2\n1.0\n5.035570 0.186594 0.214865\n2.628930 -3.191665 -0.421217\n1.679491 2.236182 -2.468293\nAl B\n2 2\ndirect\n0.090701 -0.051768 0.066824 Al\n0.739610 0.716781 -0.006093 Al\n0.689327 0.246728 0.834973 B\n0.428730 0.184132 0.741300 B\n",
"nsites": 4,
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"volume": 47.906832535620225,
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"formula_full": "Al2 B2",
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"energy_above_hull": 2.136817691666667,
"spacegroup": 1
},
{
"id": "jvasp-114251",
"created_at": "2022-09-04T14:38:40.175038Z",
"updated_at": "2022-09-04T14:38:40.175076Z",
"structure_string": "Al1 B3\n1.0\n5.255265 0.215781 -0.045885\n-2.619109 -3.172140 -0.272102\n0.822767 -0.436942 -2.802066\nAl B\n1 3\ndirect\n0.078284 0.797327 0.404836 Al\n0.868619 0.943195 0.009733 B\n0.613246 0.060088 0.137480 B\n0.787105 0.052802 0.550544 B\n",
"nsites": 4,
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"elements": [
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"density": 2.227963012592865,
"density_atomic": 0.09032877939100616,
"volume": 44.2826752112436,
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"spacegroup": 8
},
{
"id": "jvasp-14998",
"created_at": "2022-09-04T14:35:55.912158Z",
"updated_at": "2022-09-04T14:35:55.912178Z",
"structure_string": "Al2 Au1\n1.0\n3.709595 0.000000 2.141736\n1.236531 3.497440 2.141736\n0.000000 -0.000000 4.283472\nAl Au\n2 1\ndirect\n0.750001 0.750000 0.750001 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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"density": 7.49770534820687,
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{
"id": "jvasp-20159",
"created_at": "2022-09-04T14:37:53.955801Z",
"updated_at": "2022-09-04T14:37:53.955811Z",
"structure_string": "Al4 Au16\n1.0\n7.037880 0.000000 -0.000000\n-0.000000 7.037880 0.000000\n0.000000 -0.000000 7.037880\nAl Au\n4 16\ndirect\n0.064305 0.064305 0.064305 Al\n0.435695 0.935695 0.564305 Al\n0.564305 0.435695 0.935695 Al\n0.935695 0.564305 0.435695 Al\n0.283469 0.551638 0.611253 Au\n0.448362 0.111253 0.216531 Au\n0.611253 0.283469 0.551638 Au\n0.111253 0.216531 0.448362 Au\n0.051638 0.888747 0.716532 Au\n0.888747 0.716532 0.051638 Au\n0.551638 0.611253 0.283469 Au\n0.388747 0.783469 0.948362 Au\n0.216531 0.448362 0.111253 Au\n0.783469 0.948362 0.388747 Au\n0.317401 0.182599 0.817401 Au\n0.182599 0.817401 0.317401 Au\n0.817401 0.317401 0.182599 Au\n0.682599 0.682599 0.682599 Au\n0.948362 0.388747 0.783469 Au\n0.716532 0.051638 0.888747 Au\n",
"nsites": 20,
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"elements": [
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"density": 15.526015705949265,
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"volume": 348.5985471361999,
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"formula_full": "Al4 Au16",
"formula_reduced": "AlAu4",
"formula_anonymous": "AB4",
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"spacegroup": 198
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{
"id": "jvasp-86246",
"created_at": "2022-09-04T14:36:09.452385Z",
"updated_at": "2022-09-04T14:36:09.452411Z",
"structure_string": "Al4 Au8\n1.0\n3.317230 -0.000000 0.000000\n-0.000000 6.881498 0.000000\n0.000000 0.000000 8.955967\nAl Au\n4 8\ndirect\n0.750000 0.359600 0.724185 Al\n0.250000 0.640401 0.275816 Al\n0.250000 0.140401 0.224184 Al\n0.750000 0.859600 0.775816 Al\n0.750000 0.849794 0.070996 Au\n0.750000 0.421643 0.119686 Au\n0.250000 0.578357 0.880314 Au\n0.250000 0.078357 0.619687 Au\n0.750000 0.349794 0.429004 Au\n0.250000 0.650207 0.570996 Au\n0.750000 0.921643 0.380314 Au\n0.250000 0.150207 0.929004 Au\n",
"nsites": 12,
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"elements": [
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"density": 13.67515006939103,
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"volume": 204.44244067611305,
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"formula_full": "Al4 Au8",
"formula_reduced": "AlAu2",
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"spacegroup": 62
},
{
"id": "jvasp-86848",
"created_at": "2022-09-04T14:35:53.915142Z",
"updated_at": "2022-09-04T14:35:53.915167Z",
"structure_string": "Al4 Au8\n1.0\n3.317495 0.000000 0.000000\n0.000000 6.882530 0.000000\n0.000000 0.000000 8.955110\nAl Au\n4 8\ndirect\n0.749999 0.359413 0.724253 Al\n0.250000 0.640587 0.275747 Al\n0.250000 0.140587 0.224253 Al\n0.749999 0.859413 0.775747 Al\n0.749999 0.849805 0.070915 Au\n0.749999 0.421753 0.119735 Au\n0.250000 0.578247 0.880265 Au\n0.250000 0.078247 0.619735 Au\n0.749999 0.349805 0.429085 Au\n0.250000 0.650195 0.570916 Au\n0.749999 0.921753 0.380265 Au\n0.250000 0.150195 0.929085 Au\n",
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"volume": 204.4698672158191,
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"formula_full": "Al4 Au8",
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"spacegroup": 62
},
{
"id": "jvasp-19695",
"created_at": "2022-09-04T14:38:32.317767Z",
"updated_at": "2022-09-04T14:38:32.317790Z",
"structure_string": "Al4 Au4\n1.0\n0.000000 6.260210 -0.134811\n3.598640 0.000000 0.000000\n0.000000 -0.137087 -6.301524\nAl Au\n4 4\ndirect\n0.425264 0.250000 0.180141 Al\n0.574736 0.750000 0.819858 Al\n0.074868 0.250000 0.680157 Al\n0.925132 0.750000 0.319842 Al\n0.690457 0.250000 0.508001 Au\n0.309543 0.750000 0.491998 Au\n0.809567 0.250000 0.007895 Au\n0.190432 0.750000 -0.007895 Au\n",
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{
"id": "jvasp-16354",
"created_at": "2022-09-04T14:37:52.747943Z",
"updated_at": "2022-09-04T14:37:52.747965Z",
"structure_string": "Al1 Au1\n1.0\n3.223442 -0.000000 0.000000\n0.000000 3.223442 -0.000000\n-0.000000 0.000000 3.223442\nAl Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n",
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