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{
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{
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"structure_string": "Sm6 Si2 Cu2 Se14\n1.0\n10.485218 0.000000 -0.000000\n-5.242609 9.080465 0.000000\n-0.000000 0.000000 6.032761\nSm Si Cu Se\n6 2 2 14\ndirect\n0.643941 0.773809 0.744643 Sm\n0.226190 0.870131 0.744643 Sm\n0.356059 0.226190 0.244643 Sm\n0.870131 0.643941 0.244643 Sm\n0.129869 0.356059 0.744643 Sm\n0.773810 0.129869 0.244643 Sm\n0.666667 0.333333 0.831897 Si\n0.000000 0.000000 0.710307 Si\n0.333333 0.666667 0.331893 Cu\n0.000000 0.000000 0.210318 Cu\n0.164234 0.904709 0.224172 Se\n0.580846 0.478633 0.983584 Se\n0.478633 0.897787 0.483585 Se\n0.095290 0.259525 0.224172 Se\n0.740475 0.835765 0.224172 Se\n0.419154 0.521366 0.483585 Se\n0.666667 0.333333 0.456088 Se\n0.333333 0.666667 0.956092 Se\n0.835766 0.095290 0.724171 Se\n0.904709 0.740475 0.724171 Se\n0.521367 0.102213 0.983584 Se\n0.897787 0.419154 0.983584 Se\n0.259525 0.164234 0.724171 Se\n0.102212 0.580845 0.483585 Se\n",
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{
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"updated_at": "2022-09-04T14:35:57.965723Z",
"structure_string": "Sm12 Si8 Cl4 O32\n1.0\n6.295936 0.000000 0.000000\n-0.000000 7.045851 0.000000\n0.000000 0.000000 18.065009\nSm Si Cl O\n12 8 4 32\ndirect\n0.116324 0.200479 0.250000 Sm\n0.873525 0.481560 0.408401 Sm\n0.373524 0.018439 0.591599 Sm\n0.626476 0.981560 0.091599 Sm\n0.126476 0.518439 0.908401 Sm\n0.126476 0.518439 0.591599 Sm\n0.616324 0.299521 0.750000 Sm\n0.373524 0.018439 0.908401 Sm\n0.873525 0.481560 0.091599 Sm\n0.883677 0.799521 0.750000 Sm\n0.383676 0.700479 0.250000 Sm\n0.626476 0.981560 0.408401 Sm\n0.377963 0.472461 0.099584 Si\n0.877963 0.027539 0.900416 Si\n0.122037 0.972461 0.400416 Si\n0.622038 0.527539 0.599584 Si\n0.377963 0.472461 0.400416 Si\n0.877963 0.027539 0.599584 Si\n0.622038 0.527539 0.900416 Si\n0.122037 0.972461 0.099584 Si\n0.756339 0.446542 0.250000 Cl\n0.743662 0.946542 0.250000 Cl\n0.243662 0.553458 0.750000 Cl\n0.256338 0.053458 0.750000 Cl\n0.029415 0.840305 0.881500 O\n0.970585 0.159694 0.381500 O\n0.470585 0.340306 0.618500 O\n0.529416 0.659694 0.118500 O\n0.213714 0.485679 0.469660 O\n0.470585 0.340306 0.881500 O\n0.713714 0.014321 0.530340 O\n0.286287 0.985679 0.030340 O\n0.786287 0.514321 0.969660 O\n0.786287 0.514321 0.530340 O\n0.286287 0.985679 0.469660 O\n0.713714 0.014321 0.969660 O\n0.213714 0.485679 0.030340 O\n0.221711 0.462084 0.325374 O\n0.721711 0.037916 0.674626 O\n0.278289 0.962084 0.174626 O\n0.778290 0.537916 0.825374 O\n0.529416 0.659694 0.381500 O\n0.778290 0.537916 0.674626 O\n0.721711 0.037916 0.825374 O\n0.221711 0.462084 0.174626 O\n0.549386 0.300368 0.404501 O\n0.049386 0.199632 0.595500 O\n0.950615 0.800367 0.095499 O\n0.450615 0.699632 0.904501 O\n0.450615 0.699632 0.595500 O\n0.950615 0.800367 0.404501 O\n0.049386 0.199632 0.904501 O\n0.549386 0.300368 0.095499 O\n0.970585 0.159694 0.118500 O\n0.278289 0.962084 0.325374 O\n0.029415 0.840305 0.618500 O\n",
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{
"id": "jvasp-25815",
"created_at": "2022-09-04T14:37:45.750146Z",
"updated_at": "2022-09-04T14:37:45.750173Z",
"structure_string": "Sm6 Si4 Cl10 O12\n1.0\n7.411573 0.017428 1.219907\n-0.090424 7.411042 1.219907\n0.007633 0.007745 11.903668\nSm Si Cl O\n6 4 10 12\ndirect\n0.918789 0.413267 0.333020 Sm\n0.500000 0.000000 0.000000 Sm\n0.413267 0.918789 0.333020 Sm\n0.081211 0.586732 0.666980 Sm\n0.586733 0.081211 0.666980 Sm\n0.000000 0.500000 0.000000 Sm\n0.890725 0.182210 0.856572 Si\n0.182210 0.890725 0.856572 Si\n0.817790 0.109274 0.143429 Si\n0.109274 0.817790 0.143429 Si\n0.386415 0.386415 0.640234 Cl\n0.312419 0.900495 0.579316 Cl\n0.759867 0.759867 0.671412 Cl\n0.319402 0.319402 0.995733 Cl\n0.099505 0.687581 0.420685 Cl\n0.240133 0.240133 0.328589 Cl\n0.900495 0.312419 0.579316 Cl\n0.687581 0.099505 0.420685 Cl\n0.613585 0.613585 0.359766 Cl\n0.680598 0.680598 0.004268 Cl\n0.042313 0.608762 0.172656 O\n0.391238 0.957686 0.827345 O\n0.854785 0.145215 0.000000 O\n0.303976 0.868426 0.172872 O\n0.145216 0.854785 0.000000 O\n0.868426 0.303976 0.172872 O\n0.131573 0.696024 0.827129 O\n0.608762 0.042313 0.172656 O\n0.957686 0.391238 0.827345 O\n0.047205 0.047204 0.809527 O\n0.696024 0.131573 0.827129 O\n0.952795 0.952795 0.190474 O\n",
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{
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"updated_at": "2022-09-04T14:37:45.066046Z",
"structure_string": "Sm6 Si2 Ag2 S14\n1.0\n0.000000 10.185276 0.001013\n5.722921 0.000000 0.000000\n0.000000 -5.091724 -8.821236\nSm Si Ag S\n6 2 2 14\ndirect\n0.875111 0.249439 0.640174 Sm\n0.124890 0.749438 0.359827 Sm\n0.359825 0.249434 0.234940 Sm\n0.765060 0.249428 0.124895 Sm\n0.234941 0.749428 0.875105 Sm\n0.640176 0.749434 0.765061 Sm\n0.666670 0.661881 0.333337 Si\n0.333331 0.161881 0.666663 Si\n-0.000014 0.296367 0.000001 Ag\n0.000014 0.796367 -0.000001 Ag\n0.822624 0.765968 0.094244 S\n0.271647 0.765965 0.177391 S\n0.094250 0.265969 0.271639 S\n0.905751 0.765969 0.728362 S\n0.476482 0.013364 0.888258 S\n0.111740 0.013364 0.588225 S\n0.333335 0.531458 0.666660 S\n0.523519 0.513364 0.111743 S\n0.411773 0.013354 0.523513 S\n0.588228 0.513354 0.476488 S\n0.177377 0.265968 0.905756 S\n0.666666 0.031458 0.333341 S\n0.888261 0.513364 0.411776 S\n0.728354 0.265965 0.822610 S\n",
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{
"id": "jvasp-26464",
"created_at": "2022-09-04T14:37:57.208662Z",
"updated_at": "2022-09-04T14:37:57.208687Z",
"structure_string": "Sm4 Se4 Cl4 O12\n1.0\n7.123052 -0.000000 0.000000\n0.000000 7.196277 0.000000\n0.000000 0.000000 9.052771\nSm Se Cl O\n4 4 4 12\ndirect\n0.250000 0.109204 0.539297 Sm\n0.750000 0.390796 0.039297 Sm\n0.750000 0.890796 0.460703 Sm\n0.250000 0.609204 0.960703 Sm\n0.750000 0.798802 0.868480 Se\n0.250000 0.701199 0.368480 Se\n0.750000 0.298802 0.631520 Se\n0.250000 0.201199 0.131520 Se\n0.250000 0.458332 0.676983 Cl\n0.750000 0.041669 0.176983 Cl\n0.750000 0.541669 0.323017 Cl\n0.250000 0.958332 0.823017 Cl\n0.425573 0.350010 0.065323 O\n0.425573 0.850011 0.434677 O\n0.574427 0.149990 0.565323 O\n0.250000 0.752370 0.185270 O\n0.750000 0.247631 0.814730 O\n0.574427 0.649990 0.934677 O\n0.925573 0.149990 0.565323 O\n0.074427 0.350010 0.065323 O\n0.750000 0.747631 0.685270 O\n0.925573 0.649990 0.934677 O\n0.074427 0.850011 0.434677 O\n0.250000 0.252370 0.314730 O\n",
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{
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"created_at": "2022-09-04T14:37:39.977174Z",
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"structure_string": "Sm2 Re2 Si2 C1\n1.0\n0.000000 -4.045357 -0.000000\n4.399909 -2.022679 -3.382588\n4.369139 -2.022679 3.702812\nSm Re Si C\n2 2 2 1\ndirect\n0.427795 0.843362 0.301049 Sm\n0.572206 0.156638 0.698951 Sm\n0.794583 0.320808 0.090028 Re\n0.205418 0.679192 0.909972 Re\n0.854410 0.601341 0.689840 Si\n0.145591 0.398660 0.310159 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Sm2 P2 Os4 C2\n1.0\n5.896377 -0.006300 0.000000\n-4.600788 3.687825 -0.000000\n0.000000 -0.000000 7.123820\nSm P Os C\n2 2 4 2\ndirect\n0.544945 0.455054 0.250000 Sm\n0.455054 0.544945 0.750000 Sm\n0.269803 0.730195 0.250000 P\n0.730196 0.269803 0.750000 P\n0.833408 0.166592 0.052768 Os\n0.166591 0.833406 0.947232 Os\n0.166591 0.833406 0.552768 Os\n0.833408 0.166592 0.447232 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"structure_string": "Sm4 Ni2 Pt2 O12\n1.0\n5.820576 0.000000 0.000000\n-0.000000 4.388425 3.068900\n0.000000 -0.014711 9.397878\nSm Ni Pt O\n4 2 2 12\ndirect\n0.422323 0.226813 0.749531 Sm\n0.577678 0.773186 0.250470 Sm\n0.922323 0.773187 0.750470 Sm\n0.077678 0.226813 0.249531 Sm\n0.000000 0.500000 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.805142 0.260122 0.054307 O\n0.194859 0.739877 0.945693 O\n0.804107 0.870021 0.445477 O\n0.195894 0.129978 0.554524 O\n0.304107 0.129978 0.054523 O\n0.962719 0.634862 0.252592 O\n0.462719 0.365137 0.247409 O\n0.537282 0.634862 0.752592 O\n0.694859 0.260122 0.554308 O\n0.037282 0.365137 0.747409 O\n0.695894 0.870021 0.945477 O\n0.305141 0.739877 0.445693 O\n",
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{
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"created_at": "2022-09-04T14:36:40.317448Z",
"updated_at": "2022-09-04T14:36:40.317470Z",
"structure_string": "Sm1 Ni2 B2 C1\n1.0\n3.463899 -0.000000 -1.153503\n-0.384125 3.442534 -1.153503\n-0.034045 -0.038056 5.675448\nSm Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.249998 0.749998 0.500000 Ni\n0.749999 0.249999 0.500000 Ni\n0.352837 0.352837 0.705677 B\n0.647160 0.647160 0.294324 B\n0.499999 0.499999 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:37:44.404396Z",
"updated_at": "2022-09-04T14:37:44.404411Z",
"structure_string": "Sm2 Mo2 Cl2 O8\n1.0\n6.200994 -0.000212 1.501898\n1.793357 5.936007 1.501898\n0.011467 0.008514 6.940336\nSm Mo Cl O\n2 2 2 8\ndirect\n0.221821 0.221820 0.889408 Sm\n0.778180 0.778181 0.110593 Sm\n0.637392 0.637391 0.730826 Mo\n0.362609 0.362609 0.269175 Mo\n0.010180 0.010179 0.239570 Cl\n0.989821 0.989821 0.760431 Cl\n0.116473 0.489530 0.152106 O\n0.706126 0.706126 0.468764 O\n0.460930 0.460929 0.793673 O\n0.293875 0.293874 0.531237 O\n0.539071 0.539071 0.206328 O\n0.510470 0.883527 0.847895 O\n0.883527 0.510470 0.847895 O\n0.489530 0.116473 0.152106 O\n",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"elements": [
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"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.987776391551724,
"spacegroup": 63
}
]
}