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{
"id": "mp-1182873",
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"structure_string": "Al8 P16\n1.0\n-3.616283 4.311690 6.943387\n3.616283 -4.311690 6.943387\n3.616283 4.311690 -6.943387\nAl P\n8 16\ndirect\n0.504831 0.585318 0.331291 Al\n0.995169 0.326460 0.080487 Al\n0.745973 0.914682 0.419513 Al\n0.754027 0.173540 0.168709 Al\n0.495169 0.414682 0.668709 Al\n0.004831 0.673540 0.919513 Al\n0.254027 0.085318 0.580487 Al\n0.245973 0.826460 0.831291 Al\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 P\n0.250000 0.614762 0.364762 P\n0.750000 0.885238 0.135238 P\n0.750000 0.385238 0.635238 P\n0.250000 0.114762 0.864762 P\n0.817692 0.750000 0.567692 P\n0.682308 0.250000 0.932308 P\n0.182308 0.250000 0.432308 P\n0.317692 0.750000 0.067692 P\n0.516494 0.266494 0.250000 P\n0.983506 0.233506 0.750000 P\n0.483506 0.733506 0.750000 P\n0.016494 0.766494 0.250000 P\n",
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{
"id": "mp-1183180",
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"structure_string": "Al6 P2\n1.0\n2.807611 -4.862924 0.000000\n2.807611 4.862924 0.000000\n0.000000 0.000000 4.761516\nAl P\n6 2\ndirect\n0.831192 0.168808 0.750000 Al\n0.337617 0.168808 0.750000 Al\n0.831192 0.662383 0.750000 Al\n0.168808 0.831192 0.250000 Al\n0.662383 0.831192 0.250000 Al\n0.168808 0.337617 0.250000 Al\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n",
"nsites": 8,
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"formula_full": "Al6 P2",
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"updated_at": "2021-11-28T01:35:31.142000Z",
"spacegroup": 194
},
{
"id": "mp-997569",
"created_at": "2022-09-04T14:40:08.460430Z",
"structure_string": "Al4 P4\n1.0\n7.748500 0.000000 0.000000\n0.000000 7.748500 0.000000\n0.000000 0.000000 12.134315\nAl P\n4 4\ndirect\n0.359689 0.140311 0.500000 Al\n0.140311 0.640311 0.500000 Al\n0.859689 0.359689 0.500000 Al\n0.640311 0.859689 0.500000 Al\n0.154299 0.345701 0.500000 P\n0.845701 0.654299 0.500000 P\n0.654299 0.154299 0.500000 P\n0.345701 0.845701 0.500000 P\n",
"nsites": 8,
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"formula_full": "Al4 P4",
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"spacegroup": 127
},
{
"id": "mp-8880",
"created_at": "2022-09-04T14:43:07.951804Z",
"structure_string": "Al2 P2\n1.0\n1.942774 -3.364984 0.000000\n1.942774 3.364984 0.000000\n0.000000 0.000000 6.381572\nAl P\n2 2\ndirect\n0.333333 0.666667 0.000064 Al\n0.666667 0.333333 0.500064 Al\n0.333333 0.666667 0.374936 P\n0.666667 0.333333 0.874936 P\n",
"nsites": 4,
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"elements": [
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"formula_full": "Al2 P2",
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"energy": -20.73836861,
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"updated_at": "2021-11-28T01:36:00.792000Z",
"spacegroup": 186
},
{
"id": "mp-1183278",
"created_at": "2022-09-04T14:42:45.118328Z",
"structure_string": "Al1 Pb3\n1.0\n-2.411413 2.411413 5.020753\n2.411413 -2.411413 5.020753\n2.411413 2.411413 -5.020753\nAl Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 9.222350772133199,
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"volume": 116.7809606608271,
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"formula_full": "Al1 Pb3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:54.668000Z",
"spacegroup": 139
},
{
"id": "mp-1183279",
"created_at": "2022-09-04T14:42:24.695633Z",
"structure_string": "Al2 Pb6\n1.0\n3.470768 -6.011547 0.000000\n3.470768 6.011547 0.000000\n0.000000 0.000000 5.591906\nAl Pb\n2 6\ndirect\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.828833 0.171167 0.750000 Pb\n0.342334 0.171167 0.750000 Pb\n0.828833 0.657666 0.750000 Pb\n0.171167 0.828833 0.250000 Pb\n0.657666 0.828833 0.250000 Pb\n0.171167 0.342334 0.250000 Pb\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.230856215717134,
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"volume": 233.34671401057352,
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"formula_full": "Al2 Pb6",
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"formula_anonymous": "AB3",
"energy": -28.1916193,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:48.208000Z",
"spacegroup": 194
},
{
"id": "mp-1498",
"created_at": "2022-09-04T14:44:44.286524Z",
"structure_string": "Al42 Pd16\n1.0\n-6.539751 6.539751 5.387908\n6.539751 -6.539751 5.387908\n6.539751 6.539751 -5.387908\nAl Pd\n42 16\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.689703 0.546612 0.035622 Al\n0.796612 0.260990 0.356909 Al\n0.904081 0.439703 0.643091 Al\n0.510990 0.654081 0.964378 Al\n0.560297 0.203388 0.464378 Al\n0.453388 0.489010 0.143091 Al\n0.345919 0.310297 0.856909 Al\n0.739010 0.095919 0.535622 Al\n0.638212 0.803594 0.338834 Al\n0.053594 0.214760 0.665382 Al\n0.549378 0.388212 0.334618 Al\n0.464760 0.299378 0.661166 Al\n0.611788 0.946406 0.161166 Al\n0.196406 0.535240 0.834618 Al\n0.700622 0.361788 0.165382 Al\n0.785240 0.450622 0.838834 Al\n0.764787 0.757793 0.572210 Al\n0.007793 0.935584 0.493006 Al\n0.442577 0.514787 0.506994 Al\n0.185584 0.192577 0.427790 Al\n0.485213 0.992207 0.927790 Al\n0.242207 0.814416 0.006994 Al\n0.807423 0.235213 0.993006 Al\n0.064416 0.557423 0.072210 Al\n0.988825 0.761986 0.791273 Al\n0.011986 0.720713 0.273161 Al\n0.447552 0.738825 0.726839 Al\n0.970713 0.197552 0.208727 Al\n0.261175 0.988014 0.708727 Al\n0.238014 0.029287 0.226839 Al\n0.802448 0.011175 0.773161 Al\n0.279287 0.552448 0.291273 Al\n0.700954 0.679730 0.834209 Al\n0.929730 0.595521 0.478776 Al\n0.116745 0.450954 0.521224 Al\n0.845521 0.866745 0.165791 Al\n0.549046 0.070270 0.665791 Al\n0.320270 0.154479 0.021224 Al\n0.133255 0.299046 0.978776 Al\n0.404479 0.883255 0.334209 Al\n0.535839 0.812323 0.537498 Pd\n0.062323 0.024824 0.776483 Pd\n0.248341 0.285839 0.223517 Pd\n0.274824 0.998341 0.462502 Pd\n0.714161 0.937677 0.962502 Pd\n0.187677 0.725176 0.723517 Pd\n0.001659 0.464161 0.276483 Pd\n0.975176 0.751659 0.037498 Pd\n0.493021 0.107085 0.186039 Pd\n0.357085 0.671047 0.114064 Pd\n0.556983 0.243021 0.885936 Pd\n0.921047 0.306983 0.813961 Pd\n0.756979 0.642915 0.313961 Pd\n0.892915 0.078953 0.385936 Pd\n0.693017 0.506979 0.614064 Pd\n0.328953 0.443017 0.686039 Pd\n",
"nsites": 58,
"nelements": 2,
"elements": [
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],
"chemical_system": "Al-Pd",
"density": 5.109098253961784,
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"formula_full": "Al42 Pd16",
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"spacegroup": 88
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{
"id": "mp-669546",
"created_at": "2022-09-04T14:41:09.456439Z",
"structure_string": "Al13 Pd13\n1.0\n4.887645 -7.890397 0.000000\n4.887645 7.890397 0.000000\n-7.850260 0.000000 4.951853\nAl Pd\n13 13\ndirect\n0.097950 0.346031 0.054748 Al\n0.155460 0.753118 0.598540 Al\n0.598540 0.155460 0.753118 Al\n0.844540 0.246882 0.401460 Al\n0.401460 0.844540 0.246882 Al\n0.346031 0.054748 0.097950 Al\n0.945252 0.902050 0.653969 Al\n0.246882 0.401460 0.844540 Al\n0.653969 0.945252 0.902050 Al\n0.753118 0.598540 0.155460 Al\n0.054748 0.097950 0.346031 Al\n0.500000 0.500000 0.500000 Al\n0.902050 0.653969 0.945252 Al\n0.554375 0.597354 0.843733 Pd\n0.445625 0.402646 0.156267 Pd\n0.098782 0.655351 0.251924 Pd\n0.748076 0.901218 0.344649 Pd\n0.251924 0.098782 0.655351 Pd\n0.901218 0.344649 0.748076 Pd\n0.402646 0.156267 0.445625 Pd\n0.156267 0.445625 0.402646 Pd\n0.655351 0.251924 0.098782 Pd\n0.344649 0.748076 0.901218 Pd\n0.843733 0.554375 0.597354 Pd\n0.000000 0.000000 0.000000 Pd\n0.597354 0.843733 0.554375 Pd\n",
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"formula_full": "Al13 Pd13",
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{
"id": "mp-1183127",
"created_at": "2022-09-04T14:39:48.551959Z",
"structure_string": "Al3 Pd1\n1.0\n3.946910 0.000000 0.000000\n0.000000 3.946910 0.000000\n0.000000 0.000000 3.946910\nAl Pd\n3 1\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Al3 Pd1",
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"spacegroup": 221
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{
"id": "mp-7189",
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"structure_string": "Al4 Pd4\n1.0\n4.908737 0.000000 0.000000\n0.000000 4.908737 0.000000\n0.000000 0.000000 4.908737\nAl Pd\n4 4\ndirect\n0.844263 0.844263 0.844263 Al\n0.655737 0.155737 0.344263 Al\n0.344263 0.655737 0.155737 Al\n0.155737 0.344263 0.655737 Al\n0.147421 0.147421 0.147421 Pd\n0.352579 0.852579 0.647421 Pd\n0.647421 0.352579 0.852579 Pd\n0.852579 0.647421 0.352579 Pd\n",
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{
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{
"id": "mp-829",
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"total_magnetization": 0.0013114,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.594000Z",
"spacegroup": 221
}
]
}