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{
"id": "jvasp-15772",
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"structure_string": "Al4 Pd4\n1.0\n4.908900 0.000000 -0.000000\n-0.000000 4.908900 0.000000\n0.000000 -0.000000 4.908900\nAl Pd\n4 4\ndirect\n0.844019 0.844019 0.844019 Al\n0.655981 0.155981 0.344019 Al\n0.344019 0.655981 0.155981 Al\n0.155981 0.344019 0.655981 Al\n0.148297 0.148297 0.148297 Pd\n0.351703 0.851703 0.648297 Pd\n0.648297 0.351703 0.851703 Pd\n0.851703 0.648297 0.351703 Pd\n",
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{
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"structure_string": "Al3 Pd1\n1.0\n3.963060 -0.000000 0.000000\n0.000000 3.963060 0.000000\n-0.000000 -0.000000 3.963060\nAl Pd\n3 1\ndirect\n-0.000000 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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{
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"structure_string": "Al2 Pd1\n1.0\n3.643069 0.000000 2.103326\n1.214357 3.434718 2.103326\n-0.000000 -0.000000 4.206654\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n",
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"spacegroup": 225
},
{
"id": "jvasp-16374",
"created_at": "2022-09-04T14:37:55.807801Z",
"updated_at": "2022-09-04T14:37:55.807815Z",
"structure_string": "Al3 Pd2\n1.0\n2.123885 -3.678677 0.000000\n2.123885 3.678677 -0.000000\n0.000000 -0.000000 5.215198\nAl Pd\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666668 0.333334 0.354235 Al\n0.333334 0.666668 0.645765 Al\n0.666668 0.333334 0.840111 Pd\n0.333334 0.666668 0.159890 Pd\n",
"nsites": 5,
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"formula_full": "Al3 Pd2",
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"formula_anonymous": "A2B3",
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"spacegroup": 164
},
{
"id": "jvasp-20808",
"created_at": "2022-09-04T14:38:34.626229Z",
"updated_at": "2022-09-04T14:38:34.626247Z",
"structure_string": "Al4 Pd8\n1.0\n4.100289 0.000000 0.000000\n0.000000 5.489718 0.000000\n0.000000 0.000000 7.856624\nAl Pd\n4 8\ndirect\n0.750000 0.301414 0.605499 Al\n0.250000 0.698587 0.394501 Al\n0.750000 0.801414 0.894500 Al\n0.250000 0.198587 0.105499 Al\n0.750000 0.959124 0.210020 Pd\n0.250000 0.040877 0.789980 Pd\n0.750000 0.459124 0.289980 Pd\n0.250000 0.540877 0.710019 Pd\n0.750000 0.835061 0.566770 Pd\n0.250000 0.164939 0.433230 Pd\n0.750000 0.335061 0.933229 Pd\n0.250000 0.664939 0.066770 Pd\n",
"nsites": 12,
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"elements": [
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"density": 9.007345062221152,
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"volume": 176.8481305452367,
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"formula_full": "Al4 Pd8",
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"formula_anonymous": "AB2",
"energy_above_hull": 1.211178066666667,
"spacegroup": 62
},
{
"id": "jvasp-19733",
"created_at": "2022-09-04T14:38:28.565162Z",
"updated_at": "2022-09-04T14:38:28.565196Z",
"structure_string": "Al2 Pt1\n1.0\n3.643281 0.000000 2.103449\n1.214427 3.434918 2.103449\n-0.000000 0.000000 4.206898\nAl Pt\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
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"elements": [
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{
"id": "jvasp-7864",
"created_at": "2022-09-04T14:36:41.787258Z",
"updated_at": "2022-09-04T14:36:41.787274Z",
"structure_string": "Al1 Pt3\n1.0\n3.925145 -0.000000 0.000000\n0.000000 3.925145 0.000000\n0.000000 0.000000 3.925145\nAl Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.499999 0.499999 Pt\n0.499999 0.499999 0.000000 Pt\n0.499999 0.000000 0.499999 Pt\n",
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},
{
"id": "jvasp-20161",
"created_at": "2022-09-04T14:38:13.634678Z",
"updated_at": "2022-09-04T14:38:13.634694Z",
"structure_string": "Al6 Pt10\n1.0\n4.003127 0.000000 0.000000\n0.000000 5.473913 0.000000\n0.000000 0.000000 10.917031\nAl Pt\n6 10\ndirect\n0.500000 0.179137 0.640136 Al\n0.500000 0.820862 0.359863 Al\n0.500000 0.679137 0.859863 Al\n0.500000 0.320863 0.140136 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.292428 0.393099 Pt\n0.500000 0.707572 0.606901 Pt\n0.500000 0.792427 0.106901 Pt\n0.500000 0.207572 0.893099 Pt\n0.000000 0.426010 0.729348 Pt\n0.000000 0.573989 0.270651 Pt\n0.000000 0.926010 0.770651 Pt\n0.000000 0.073990 0.229348 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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"volume": 239.22237766044375,
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"formula_full": "Al6 Pt10",
"formula_reduced": "Al3Pt5",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.534150675,
"spacegroup": 55
},
{
"id": "jvasp-91675",
"created_at": "2022-09-04T14:35:41.417407Z",
"updated_at": "2022-09-04T14:35:41.417432Z",
"structure_string": "Al2 Pt6\n1.0\n0.000000 -0.000000 3.924818\n5.551413 -0.000000 0.000000\n0.000000 5.551413 -0.000000\nAl Pt\n2 6\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.251100 0.751100 Pt\n0.000000 0.748900 0.248900 Pt\n0.000000 0.248900 0.251100 Pt\n0.000000 0.751100 0.748900 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n",
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"formula_full": "Al2 Pt6",
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"spacegroup": 221
},
{
"id": "jvasp-16376",
"created_at": "2022-09-04T14:38:02.811836Z",
"updated_at": "2022-09-04T14:38:02.811866Z",
"structure_string": "Al1 Pt1\n1.0\n3.094224 -0.000000 0.000000\n0.000000 3.094224 -0.000000\n0.000000 0.000000 3.094224\nAl Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 0.499999 Pt\n",
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},
{
"id": "jvasp-56361",
"created_at": "2022-09-04T14:38:36.282524Z",
"updated_at": "2022-09-04T14:38:36.282552Z",
"structure_string": "Al6 Pt4\n1.0\n2.054021 -3.557669 0.000000\n2.054021 3.557669 -0.000000\n0.000000 0.000000 11.345275\nAl Pt\n6 4\ndirect\n0.333333 0.666667 0.333587 Al\n0.666667 0.333333 0.666413 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.776872 Al\n0.000000 0.000000 0.223128 Al\n0.333333 0.666667 0.589490 Pt\n0.333333 0.666667 0.106830 Pt\n0.666667 0.333333 0.410510 Pt\n0.666667 0.333333 0.893170 Pt\n",
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{
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"structure_string": "Al3 Pt2\n1.0\n2.118111 -3.668677 -0.000000\n2.118111 3.668677 0.000000\n0.000000 0.000000 5.260502\nAl Pt\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.647718 Al\n0.666667 0.333333 0.352282 Al\n0.333333 0.666667 0.170739 Pt\n0.666667 0.333333 0.829260 Pt\n",
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