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{
"id": "jvasp-37941",
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"structure_string": "Al6 Fe2\n1.0\n2.688405 -4.656455 0.000000\n2.688405 4.656455 -0.000000\n-0.000000 0.000000 4.384799\nAl Fe\n6 2\ndirect\n0.343395 0.171697 0.249980 Al\n0.828305 0.171697 0.249980 Al\n0.828305 0.656607 0.249980 Al\n0.656607 0.828305 0.750020 Al\n0.171697 0.828305 0.750020 Al\n0.171697 0.343395 0.750020 Al\n0.666668 0.333334 0.749892 Fe\n0.333334 0.666668 0.250108 Fe\n",
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{
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"structure_string": "Al12 Fe8 Si4\n1.0\n6.598257 -0.000000 3.809505\n2.199419 6.220896 3.809505\n-0.000000 -0.000000 7.619010\nAl Fe Si\n12 8 4\ndirect\n0.799313 0.799313 0.200688 Al\n0.049313 0.450688 0.450687 Al\n0.049313 0.450688 0.049313 Al\n0.450687 0.049313 0.450687 Al\n0.049313 0.049313 0.450687 Al\n0.450687 0.450688 0.049313 Al\n0.450687 0.049313 0.049313 Al\n0.200687 0.799313 0.799313 Al\n0.200687 0.799313 0.200688 Al\n0.799313 0.200687 0.799313 Al\n0.200687 0.200687 0.799313 Al\n0.799313 0.200687 0.200688 Al\n0.840715 0.840715 0.840715 Fe\n0.840715 0.840715 0.477858 Fe\n0.840715 0.477858 0.840715 Fe\n0.477857 0.840715 0.840715 Fe\n0.409286 0.409286 0.409286 Fe\n0.409286 0.772143 0.409286 Fe\n0.772143 0.409286 0.409286 Fe\n0.409286 0.409286 0.772143 Fe\n0.625000 0.625000 0.125000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
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{
"id": "jvasp-37829",
"created_at": "2022-09-04T14:37:59.148295Z",
"updated_at": "2022-09-04T14:37:59.148319Z",
"structure_string": "Al3 Ga1\n1.0\n4.102171 0.000000 0.000000\n0.000000 4.102171 0.000000\n0.000000 0.000000 4.102171\nAl Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n",
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"density": 3.624329993991319,
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"volume": 69.03054151309675,
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"formula_full": "Al3 Ga1",
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"spacegroup": 221
},
{
"id": "jvasp-35106",
"created_at": "2022-09-04T14:37:41.617764Z",
"updated_at": "2022-09-04T14:37:41.617791Z",
"structure_string": "Al3 Ga1 N4\n1.0\n4.437897 -0.000000 -0.000000\n-0.000000 4.437897 -0.000000\n0.000000 0.000000 4.437897\nAl Ga N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.743950 0.743950 0.256051 N\n0.743950 0.256051 0.743950 N\n0.256051 0.743950 0.743950 N\n0.256051 0.256051 0.256051 N\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.09152891871670364,
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"formula_full": "Al3 Ga1 N4",
"formula_reduced": "Al3GaN4",
"formula_anonymous": "AB3C4",
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"spacegroup": 215
},
{
"id": "jvasp-104764",
"created_at": "2022-09-04T14:36:58.992738Z",
"updated_at": "2022-09-04T14:36:58.992758Z",
"structure_string": "Al3 Ga1 N4\n1.0\n3.142457 -0.000000 0.000000\n0.000000 5.076982 0.003533\n-0.000000 0.000569 5.441084\nAl Ga N\n3 1 4\ndirect\n0.500000 0.499894 0.832617 Al\n0.500000 0.000500 0.164917 Al\n-0.000000 0.000793 0.668581 Al\n-0.000000 0.499163 0.333865 Ga\n-0.000000 0.109690 0.333747 N\n0.500000 0.123138 0.832829 N\n0.500000 0.626359 0.158220 N\n-0.000000 0.624064 0.675219 N\n",
"nsites": 8,
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"density": 3.9538252870872337,
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{
"id": "jvasp-20753",
"created_at": "2022-09-04T14:37:38.837910Z",
"updated_at": "2022-09-04T14:37:38.837927Z",
"structure_string": "Al6 Ir2\n1.0\n2.152586 -3.728387 -0.000000\n2.152586 3.728387 0.000000\n-0.000000 0.000000 7.811655\nAl Ir\n6 2\ndirect\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666668 0.333334 0.421235 Al\n0.333334 0.666668 0.921235 Al\n0.333334 0.666668 0.578764 Al\n0.666668 0.333334 0.078765 Al\n0.666668 0.333334 0.750000 Ir\n0.333334 0.666668 0.250000 Ir\n",
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"formula_full": "Al6 Ir2",
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},
{
"id": "jvasp-20659",
"created_at": "2022-09-04T14:38:12.431902Z",
"updated_at": "2022-09-04T14:38:12.431925Z",
"structure_string": "Al6 Ir2\n1.0\n2.152585 -3.728386 0.000000\n2.152585 3.728386 -0.000000\n-0.000000 0.000000 7.811652\nAl Ir\n6 2\ndirect\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666666 0.333332 0.421235 Al\n0.333332 0.666666 0.921235 Al\n0.333332 0.666666 0.578764 Al\n0.666666 0.333332 0.078765 Al\n0.666666 0.333332 0.750000 Ir\n0.333332 0.666666 0.250000 Ir\n",
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},
{
"id": "jvasp-54913",
"created_at": "2022-09-04T14:38:29.166480Z",
"updated_at": "2022-09-04T14:38:29.166505Z",
"structure_string": "Al12 Mo4\n1.0\n3.536952 -0.000036 -0.775376\n-0.369881 8.254596 -1.687205\n-0.003518 0.008621 8.440310\nAl Mo\n12 4\ndirect\n0.126272 0.657058 0.252560 Al\n0.125401 0.147081 0.250831 Al\n0.624906 0.397645 0.249823 Al\n0.748729 0.695164 0.497442 Al\n0.503021 0.598187 0.006091 Al\n0.749595 0.205140 0.499162 Al\n0.371981 0.754042 0.743913 Al\n0.003588 0.858506 0.007182 Al\n0.497694 0.094220 0.995423 Al\n0.250093 0.954579 0.500179 Al\n0.377300 0.258007 0.754566 Al\n0.871414 0.493722 0.742825 Al\n0.010704 0.356331 0.021495 Mo\n0.632829 0.904942 0.265750 Mo\n0.242171 0.447281 0.484253 Mo\n0.864295 0.995894 0.728505 Mo\n",
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{
"id": "jvasp-11975",
"created_at": "2022-09-04T14:36:51.444121Z",
"updated_at": "2022-09-04T14:36:51.444148Z",
"structure_string": "Al12 Ni4\n1.0\n4.844234 -0.000000 0.000000\n-0.000000 6.610957 0.000000\n0.000000 0.000000 7.418481\nAl Ni\n12 4\ndirect\n0.916854 0.003667 0.250000 Al\n0.360922 0.170712 0.446022 Al\n0.360922 0.170712 0.053978 Al\n0.860921 0.329288 0.553978 Al\n0.139078 0.670713 0.446022 Al\n0.639078 0.829288 0.946022 Al\n0.139078 0.670713 0.053978 Al\n0.639078 0.829288 0.553978 Al\n0.860921 0.329288 0.946022 Al\n0.583145 0.503667 0.250000 Al\n0.083145 0.996334 0.750000 Al\n0.416854 0.496334 0.750000 Al\n0.443183 0.869259 0.250000 Ni\n0.056817 0.369258 0.250000 Ni\n0.556816 0.130742 0.750000 Ni\n0.943182 0.630742 0.750000 Ni\n",
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{
"id": "jvasp-11950",
"created_at": "2022-09-04T14:36:41.675272Z",
"updated_at": "2022-09-04T14:36:41.675298Z",
"structure_string": "Al3 Ni2\n1.0\n4.042248 -0.000000 -0.000000\n-2.021125 3.500689 0.000000\n-0.000000 -0.000000 4.911421\nAl Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.648159 Al\n0.666668 0.333333 0.351841 Al\n0.333334 0.666667 0.148795 Ni\n0.666668 0.333333 0.851205 Ni\n",
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},
{
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"created_at": "2022-09-04T14:37:57.939074Z",
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"structure_string": "Al3 Ni2\n1.0\n2.021116 -3.500675 0.000000\n2.021116 3.500675 -0.000000\n-0.000000 -0.000000 4.911394\nAl Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666668 0.351840 Al\n0.666668 0.333334 0.648159 Al\n0.333334 0.666668 0.851204 Ni\n0.666668 0.333334 0.148795 Ni\n",
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{
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"structure_string": "Al3 Ni2 Pt1\n1.0\n2.952143 -0.000000 0.000000\n0.000000 2.952143 0.000000\n-0.000000 -0.000000 8.894198\nAl Ni Pt\n3 2 1\ndirect\n0.499999 0.499999 0.185426 Al\n0.499999 0.499999 0.500000 Al\n0.499999 0.499999 0.814574 Al\n0.000000 0.000000 0.341023 Ni\n0.000000 0.000000 0.658977 Ni\n0.000000 0.000000 0.000000 Pt\n",
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