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{
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{
"id": "mp-1247838",
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"structure_string": "Al4 Se6\n1.0\n24.880681 0.019323 0.054757\n12.445726 7.316565 0.067552\n8.330696 0.098343 15.663395\nAl Se\n4 6\ndirect\n0.785855 0.353290 0.607830 Al\n0.947014 0.666284 0.159815 Al\n0.133989 0.318524 0.607755 Al\n0.472558 0.328093 0.607674 Al\n0.992734 0.666910 0.020937 Se\n0.420470 0.320258 0.745695 Se\n0.600034 0.666586 0.199626 Se\n0.759763 0.327185 0.745783 Se\n0.646837 0.666451 0.059485 Se\n0.074078 0.353086 0.745401 Se\n",
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{
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"structure_string": "Al4 Se6\n1.0\n3.423402 5.979539 0.000000\n-3.423402 5.979539 0.000000\n0.000000 3.831567 6.371805\nAl Se\n4 6\ndirect\n0.637738 0.444740 0.870590 Al\n0.444740 0.637738 0.370590 Al\n0.264797 0.135980 0.883452 Al\n0.135980 0.264797 0.383452 Al\n0.908975 0.087976 0.013288 Se\n0.087976 0.908975 0.513288 Se\n0.585178 0.758160 0.985097 Se\n0.758160 0.585178 0.485097 Se\n0.248118 0.428138 0.997573 Se\n0.428138 0.248118 0.497573 Se\n",
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},
{
"id": "mp-1021666",
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"structure_string": "Al1 Si1\n1.0\n3.151888 0.000000 0.000000\n0.000000 3.151888 0.000000\n0.000000 0.000000 3.151888\nAl Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Si\n",
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"volume": 31.312109731670663,
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"formula_full": "Al1 Si1",
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"spacegroup": 221
},
{
"id": "mp-1228120",
"created_at": "2022-09-04T14:41:28.030403Z",
"structure_string": "Al4 Si1\n1.0\n11.391693 -1.422635 0.000000\n11.391693 1.422635 0.000000\n11.214029 0.000000 2.457663\nAl Si\n4 1\ndirect\n0.602723 0.602723 0.602723 Al\n0.201370 0.201370 0.201370 Al\n0.798630 0.798630 0.798630 Al\n0.397277 0.397277 0.397277 Al\n0.000000 0.000000 0.000000 Si\n",
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"formula_full": "Al4 Si1",
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"energy": -19.83304983,
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"updated_at": "2021-11-28T01:35:25.876000Z",
"spacegroup": 166
},
{
"id": "mp-1203554",
"created_at": "2022-09-04T14:43:57.382066Z",
"structure_string": "Al8 Si38\n1.0\n10.335070 0.000000 0.000000\n0.114113 10.392841 0.000000\n0.101584 0.177190 10.471312\nAl Si\n8 38\ndirect\n0.257582 0.502207 0.001151 Al\n0.999659 0.753543 0.506459 Al\n0.503440 0.001790 0.750667 Al\n0.881875 0.310589 0.996775 Al\n0.998107 0.119314 0.311795 Al\n0.306074 0.996854 0.118042 Al\n0.499377 0.809717 0.385689 Al\n0.807894 0.380275 0.497041 Al\n0.743696 0.508330 0.998652 Si\n0.011834 0.250730 0.507253 Si\n0.504057 0.009442 0.252426 Si\n0.814994 0.175156 0.812409 Si\n0.190181 0.204310 0.180482 Si\n0.815469 0.812966 0.177207 Si\n0.179775 0.815772 0.816482 Si\n0.318695 0.324994 0.320494 Si\n0.678429 0.314569 0.692059 Si\n0.692449 0.677401 0.312803 Si\n0.316026 0.681351 0.686230 Si\n0.172005 0.799717 0.183260 Si\n0.817238 0.818659 0.813769 Si\n0.186454 0.181866 0.814590 Si\n0.803842 0.177670 0.180965 Si\n0.682460 0.685756 0.686412 Si\n0.310518 0.674273 0.318802 Si\n0.322406 0.318075 0.685401 Si\n0.680378 0.313888 0.309661 Si\n0.120234 0.307179 0.991890 Si\n0.876897 0.693472 0.995015 Si\n0.105679 0.691731 0.996259 Si\n0.002580 0.118290 0.694045 Si\n0.000459 0.890608 0.695854 Si\n0.993373 0.878840 0.296482 Si\n0.697261 0.996936 0.889345 Si\n0.690688 0.997028 0.115927 Si\n0.300073 0.994593 0.882555 Si\n0.500157 0.197583 0.382065 Si\n0.502154 0.199003 0.609643 Si\n0.497001 0.802570 0.619125 Si\n0.197331 0.382417 0.506398 Si\n0.194897 0.609618 0.506509 Si\n0.801527 0.619236 0.501645 Si\n0.392224 0.502515 0.196859 Si\n0.621203 0.502055 0.191229 Si\n0.391629 0.497570 0.803288 Si\n0.619717 0.499545 0.808891 Si\n",
"nsites": 46,
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"elements": [
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"chemical_system": "Al-Si",
"density": 1.8943544391017222,
"density_atomic": 0.040898655027154396,
"volume": 1124.7313626684936,
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"formula_full": "Al8 Si38",
"formula_reduced": "Al4Si19",
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"energy": -222.7448797,
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"updated_at": "2021-11-28T01:36:21.192000Z",
"spacegroup": 1
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{
"id": "mp-1183200",
"created_at": "2022-09-04T14:45:10.634003Z",
"structure_string": "Al3 Sn1\n1.0\n-2.163379 2.163379 4.177835\n2.163379 -2.163379 4.177835\n2.163379 2.163379 -4.177835\nAl Sn\n3 1\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Al3 Sn1",
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{
"id": "mp-1183131",
"created_at": "2022-09-04T14:40:38.818666Z",
"structure_string": "Al3 Sn1\n1.0\n4.271209 0.000000 0.000000\n0.000000 4.271209 0.000000\n0.000000 0.000000 4.271209\nAl Sn\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 Sn\n",
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{
"id": "mp-1206714",
"created_at": "2022-09-04T14:47:08.516449Z",
"structure_string": "Al2 Sn1\n1.0\n0.000000 3.353870 3.353870\n3.353870 0.000000 3.353870\n3.353870 3.353870 0.000000\nAl Sn\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Sn\n",
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{
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"structure_string": "Al1 Sn1\n1.0\n2.099053 -3.635666 0.000000\n2.099053 3.635666 0.000000\n0.000000 0.000000 3.306847\nAl Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.500000 Sn\n",
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{
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{
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"structure_string": "Al12 Tc3\n1.0\n8.801280 2.600266 0.000000\n-8.801280 2.600266 0.000000\n0.000000 1.006754 5.071386\nAl Tc\n12 3\ndirect\n0.852176 0.852176 0.506248 Al\n0.506594 0.506594 0.145939 Al\n0.262717 0.415762 0.680768 Al\n0.415762 0.262717 0.680768 Al\n0.061830 0.301589 0.213361 Al\n0.301589 0.061830 0.213361 Al\n0.941916 0.692181 0.810356 Al\n0.692181 0.941916 0.810356 Al\n0.082291 0.548616 0.592430 Al\n0.548616 0.082291 0.592430 Al\n0.231455 0.728974 0.071699 Al\n0.728974 0.231455 0.071699 Al\n0.013027 0.013027 0.992680 Tc\n0.805395 0.532477 0.331953 Tc\n0.532477 0.805395 0.331953 Tc\n",
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"formula_full": "Al12 Tc3",
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{
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}
]
}