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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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{
"id": "jvasp-19907",
"created_at": "2022-09-04T14:36:01.443092Z",
"updated_at": "2022-09-04T14:36:01.443114Z",
"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-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,
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"volume": 44.2826752112436,
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"formula_full": "Al1 B3",
"formula_reduced": "AlB3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"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",
"nsites": 2,
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"elements": [
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"chemical_system": "Al-B",
"density": 2.0088145386509386,
"density_atomic": 0.06401985346743022,
"volume": 31.240308930377196,
"volume_molar": 9.406676888230825,
"formula_full": "Al1 B1",
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"formula_anonymous": "AB",
"energy_above_hull": 2.4978676916666664,
"spacegroup": 187
},
{
"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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"elements": [
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],
"chemical_system": "Al-B",
"density": 2.619918013766718,
"density_atomic": 0.08349539696714191,
"volume": 47.906832535620225,
"volume_molar": 7.212542222381318,
"formula_full": "Al2 B2",
"formula_reduced": "AlB",
"formula_anonymous": "AB",
"energy_above_hull": 2.136817691666667,
"spacegroup": 1
},
{
"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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"chemical_system": "Al-B",
"density": 2.006589021372187,
"density_atomic": 0.0745869244488502,
"volume": 40.2215270594422,
"volume_molar": 8.073989917803662,
"formula_full": "Al1 B2",
"formula_reduced": "AlB2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-78301",
"created_at": "2022-09-04T14:37:12.936163Z",
"updated_at": "2022-09-04T14:37:12.936186Z",
"structure_string": "Al1 Au2\n1.0\n3.374144 0.000000 0.000000\n0.000000 3.374144 0.000000\n-1.687072 -1.687072 4.440324\nAl Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.655712 0.655712 0.311426 Au\n0.344287 0.344287 0.688573 Au\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Al-Au",
"density": 13.826150482629865,
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"volume": 50.55241262401324,
"volume_molar": 10.14779148598029,
"formula_full": "Al1 Au2",
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"spacegroup": 139
},
{
"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",
"nsites": 2,
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"elements": [
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"density": 11.102912406419767,
"density_atomic": 0.05971320954401019,
"volume": 33.49342658471486,
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"formula_full": "Al1 Au1",
"formula_reduced": "AlAu",
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"spacegroup": 221
},
{
"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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"chemical_system": "Al-Au",
"density": 15.526015705949265,
"density_atomic": 0.05737258564128742,
"volume": 348.5985471361999,
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"formula_full": "Al4 Au16",
"formula_reduced": "AlAu4",
"formula_anonymous": "AB4",
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"spacegroup": 198
},
{
"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,
"density_atomic": 0.05869622745803031,
"volume": 204.44244067611305,
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"formula_full": "Al4 Au8",
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"spacegroup": 62
},
{
"id": "jvasp-103733",
"created_at": "2022-09-04T14:36:46.442911Z",
"updated_at": "2022-09-04T14:36:46.442929Z",
"structure_string": "Al1 Au4\n1.0\n3.046717 0.253655 0.312428\n1.245020 2.792266 0.312428\n0.348302 0.247196 10.909633\nAl Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.390726 0.390729 0.822298 Au\n0.797648 0.797653 0.605843 Au\n0.202350 0.202352 0.394157 Au\n0.609273 0.609275 0.177702 Au\n",
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},
{
"id": "jvasp-102454",
"created_at": "2022-09-04T14:36:46.324452Z",
"updated_at": "2022-09-04T14:36:46.324471Z",
"structure_string": "Al3 Au1\n1.0\n3.711191 0.001005 -3.326328\n-0.739516 3.636764 -3.326328\n-0.000821 -0.001005 4.983713\nAl Au\n3 1\ndirect\n0.750000 0.250000 0.499999 Al\n0.249999 0.749999 0.499998 Al\n0.499999 0.500000 -0.000001 Al\n0.000000 0.000000 0.000000 Au\n",
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]
}