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{
"id": "jvasp-21918",
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"structure_string": "Sc4 Si4 Ru2\n1.0\n3.968791 -0.000000 0.963030\n1.902950 5.033986 0.817164\n-0.003553 -0.013807 8.674148\nSc Si Ru\n4 4 2\ndirect\n0.817317 0.257615 0.107750 Sc\n0.005330 0.666495 0.322845 Sc\n0.182684 0.742385 0.892250 Sc\n0.994670 0.333505 0.677155 Sc\n0.485882 0.149423 0.878816 Si\n0.360221 0.714149 0.565409 Si\n0.514119 0.850578 0.121184 Si\n0.639780 0.285851 0.434590 Si\n0.729196 0.911359 0.630248 Ru\n0.270805 0.088641 0.369751 Ru\n",
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{
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{
"id": "jvasp-112468",
"created_at": "2022-09-04T14:38:41.002228Z",
"updated_at": "2022-09-04T14:38:41.002259Z",
"structure_string": "Sc4 Si4 Pd4\n1.0\n4.013530 -0.000000 0.000000\n0.000000 6.578213 0.000000\n-0.000000 -0.000000 7.561010\nSc Si Pd\n4 4 4\ndirect\n0.250000 0.018680 0.313591 Sc\n0.250000 0.518680 0.186409 Sc\n0.750000 0.981319 0.686409 Sc\n0.750000 0.481319 0.813591 Sc\n0.250000 0.273613 0.615119 Si\n0.250000 0.773613 0.884881 Si\n0.750000 0.726387 0.384881 Si\n0.750000 0.226387 0.115119 Si\n0.250000 0.160225 0.931585 Pd\n0.250000 0.660224 0.568415 Pd\n0.750000 0.839775 0.068415 Pd\n0.750000 0.339775 0.431585 Pd\n",
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"formula_full": "Sc4 Si4 Pd4",
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{
"id": "jvasp-23791",
"created_at": "2022-09-04T14:37:50.565542Z",
"updated_at": "2022-09-04T14:37:50.565567Z",
"structure_string": "Sc4 Si4 Ni4\n1.0\n4.019530 0.000000 0.000000\n0.000000 6.440208 0.000000\n0.000000 0.000000 6.957428\nSc Si Ni\n4 4 4\ndirect\n0.750000 0.006969 0.203135 Sc\n0.250000 0.993032 0.796865 Sc\n0.750000 0.506969 0.296865 Sc\n0.250000 0.493031 0.703135 Sc\n0.250000 0.300571 0.092539 Si\n0.750000 0.699429 0.907461 Si\n0.250000 0.800571 0.407461 Si\n0.750000 0.199429 0.592540 Si\n0.250000 0.687183 0.080230 Ni\n0.750000 0.312818 0.919770 Ni\n0.250000 0.187182 0.419770 Ni\n0.750000 0.812818 0.580230 Ni\n",
"nsites": 12,
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"volume": 180.1042201061679,
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"formula_full": "Sc4 Si4 Ni4",
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{
"id": "jvasp-23721",
"created_at": "2022-09-04T14:37:37.173063Z",
"updated_at": "2022-09-04T14:37:37.173087Z",
"structure_string": "Sc4 Si2 B4 Ir10\n1.0\n9.247272 0.000000 -0.000000\n0.000000 9.247272 0.000000\n-0.000000 0.000000 3.139898\nSc Si B Ir\n4 2 4 10\ndirect\n0.175236 0.675236 0.000000 Sc\n0.675236 0.824763 0.000000 Sc\n0.324763 0.175236 0.000000 Sc\n0.824763 0.324763 0.000000 Sc\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.124020 0.375980 0.000000 B\n0.624020 0.124020 0.000000 B\n0.375980 0.875980 0.000000 B\n0.875980 0.624020 0.000000 B\n0.212266 0.929445 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.287733 0.429446 0.500000 Ir\n0.712267 0.570554 0.500000 Ir\n0.570554 0.287733 0.500000 Ir\n0.429446 0.712267 0.500000 Ir\n0.929445 0.787732 0.500000 Ir\n0.787732 0.070554 0.500000 Ir\n0.070554 0.212266 0.500000 Ir\n",
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"density": 13.61466504653186,
"density_atomic": 0.07448815049699087,
"volume": 268.49908161980676,
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"formula_full": "Sc4 Si2 B4 Ir10",
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{
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"updated_at": "2022-09-04T14:36:01.853415Z",
"structure_string": "Sc4 Se6 O18\n1.0\n8.095862 -0.000000 -0.000000\n-4.047931 7.011222 0.000000\n-0.000000 -0.000000 7.702280\nSc Se O\n4 6 18\ndirect\n0.333333 0.666667 0.454534 Sc\n0.666667 0.333333 0.954534 Sc\n0.666667 0.333333 0.545466 Sc\n0.333333 0.666667 0.045466 Sc\n0.705098 0.967054 0.750000 Se\n0.967054 0.261956 0.250000 Se\n0.032946 0.738044 0.750000 Se\n0.294902 0.032946 0.250000 Se\n0.261956 0.294902 0.750000 Se\n0.738044 0.705098 0.250000 Se\n0.236213 0.411903 0.577220 O\n0.411903 0.175690 0.077220 O\n0.877368 0.490451 0.750000 O\n0.386919 0.877368 0.250000 O\n0.411903 0.175690 0.422780 O\n0.613081 0.122631 0.750000 O\n0.122631 0.509549 0.250000 O\n0.175690 0.763787 0.577220 O\n0.824309 0.236213 0.077220 O\n0.763787 0.588097 0.077220 O\n0.588097 0.824309 0.577220 O\n0.588097 0.824309 0.922780 O\n0.763787 0.588097 0.422780 O\n0.824309 0.236213 0.422780 O\n0.175690 0.763787 0.922780 O\n0.236213 0.411903 0.922780 O\n0.509549 0.386919 0.750000 O\n0.490451 0.613081 0.250000 O\n",
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"formula_full": "Sc4 Se6 O18",
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{
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"created_at": "2022-09-04T14:35:48.298928Z",
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"structure_string": "Sc4 Se6 O18\n1.0\n8.066422 0.000000 -0.000000\n-4.033211 6.985726 0.000000\n0.000000 0.000000 7.692224\nSc Se O\n4 6 18\ndirect\n0.333334 0.666667 0.454688 Sc\n0.666667 0.333333 0.954688 Sc\n0.666667 0.333333 0.545311 Sc\n0.333334 0.666667 0.045312 Sc\n0.706142 0.967026 0.750000 Se\n0.967026 0.260884 0.250000 Se\n0.032975 0.739117 0.750000 Se\n0.293858 0.032974 0.250000 Se\n0.260884 0.293858 0.750000 Se\n0.739116 0.706142 0.250000 Se\n0.232589 0.410140 0.576484 O\n0.410140 0.177551 0.076484 O\n0.878435 0.489422 0.750000 O\n0.389013 0.878436 0.250000 O\n0.410140 0.177551 0.423516 O\n0.610987 0.121565 0.750000 O\n0.121565 0.510578 0.250000 O\n0.177552 0.767411 0.576484 O\n0.822449 0.232589 0.076484 O\n0.767411 0.589860 0.076484 O\n0.589860 0.822449 0.576484 O\n0.589860 0.822449 0.923515 O\n0.767411 0.589860 0.423516 O\n0.822449 0.232589 0.423516 O\n0.177552 0.767411 0.923515 O\n0.232589 0.410140 0.923515 O\n0.510578 0.389013 0.750000 O\n0.489422 0.610987 0.250000 O\n",
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{
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"structure_string": "Sc4 Sb2\n1.0\n4.206704 0.000000 -0.000000\n0.000000 4.206704 0.000000\n0.000000 0.000000 7.829249\nSc Sb\n4 2\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.343192 Sc\n0.500000 0.000000 0.656808 Sc\n0.000000 0.500000 0.718888 Sb\n0.500000 0.000000 0.281112 Sb\n",
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{
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{
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"structure_string": "Sc4 S2 O4\n1.0\n1.769148 -3.064255 0.000000\n1.769148 3.064255 0.000000\n-0.000000 0.000000 12.575090\nSc S O\n4 2 4\ndirect\n0.333333 0.666668 0.392924 Sc\n0.666668 0.333333 0.892924 Sc\n0.666668 0.333333 0.607076 Sc\n0.333333 0.666668 0.107076 Sc\n0.000000 0.000000 0.750000 S\n0.000000 0.000000 0.250000 S\n0.666668 0.333333 0.434442 O\n0.333333 0.666668 0.934442 O\n0.333333 0.666668 0.565558 O\n0.666668 0.333333 0.065558 O\n",
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{
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{
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]
}