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"id": "jvasp-86763",
"created_at": "2022-09-04T14:35:47.023986Z",
"updated_at": "2022-09-04T14:35:47.024013Z",
"structure_string": "Ba5 Al5 Pb1\n1.0\n6.118250 -0.000000 0.000000\n-3.059126 5.298560 -0.000000\n-0.000000 -0.000000 11.157884\nBa Al Pb\n5 5 1\ndirect\n0.666667 0.333333 0.201771 Ba\n0.666667 0.333333 0.798229 Ba\n0.000000 0.000000 0.327829 Ba\n0.000000 0.000000 0.672170 Ba\n0.333333 0.666667 0.000000 Ba\n0.333333 0.666667 0.323690 Al\n0.513757 0.027515 0.500000 Al\n0.513757 0.486243 0.500000 Al\n0.333333 0.666667 0.676310 Al\n0.972485 0.486243 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
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{
"id": "jvasp-86759",
"created_at": "2022-09-04T14:36:16.884667Z",
"updated_at": "2022-09-04T14:36:16.884688Z",
"structure_string": "Dy1 P2 Pt8\n1.0\n3.897222 0.000005 1.058101\n1.887002 6.011482 0.755955\n-0.024234 -0.010887 7.794810\nDy P Pt\n1 2 8\ndirect\n0.500000 0.500000 0.500000 Dy\n0.058138 0.173189 0.710559 P\n0.941862 0.826811 0.289441 P\n0.217675 0.147900 0.416745 Pt\n0.823050 0.509365 0.844567 Pt\n0.176950 0.490634 0.155433 Pt\n0.168355 0.817183 0.846146 Pt\n0.475195 0.178873 0.870790 Pt\n0.524806 0.821127 0.129210 Pt\n0.782325 0.852099 0.583256 Pt\n0.831645 0.182817 0.153854 Pt\n",
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{
"id": "jvasp-86757",
"created_at": "2022-09-04T14:36:07.645115Z",
"updated_at": "2022-09-04T14:36:07.645135Z",
"structure_string": "Tc4 Br12\n1.0\n11.284376 0.000000 0.000000\n0.000000 5.923023 -0.000000\n0.000000 -0.000000 6.533106\nTc Br\n4 12\ndirect\n0.250000 0.030197 0.239057 Tc\n0.250000 0.469803 0.239057 Tc\n0.750000 0.530197 0.760944 Tc\n0.750000 0.969802 0.760944 Tc\n0.750000 0.749999 0.093517 Br\n0.099506 0.749999 0.088913 Br\n0.400494 0.749999 0.088913 Br\n0.082568 0.249999 0.403895 Br\n0.417432 0.249999 0.403895 Br\n0.750000 0.249999 0.460197 Br\n0.250000 0.749999 0.539804 Br\n0.582568 0.749999 0.596105 Br\n0.917433 0.749999 0.596105 Br\n0.599506 0.249999 0.911088 Br\n0.900495 0.249999 0.911088 Br\n0.250000 0.249999 0.906484 Br\n",
"nsites": 16,
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"elements": [
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"formula_full": "Tc4 Br12",
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{
"id": "jvasp-86756",
"created_at": "2022-09-04T14:35:56.709827Z",
"updated_at": "2022-09-04T14:35:56.709855Z",
"structure_string": "Fe4 B2\n1.0\n4.078736 0.345518 -1.265391\n-2.132788 3.493807 -1.265391\n-0.175125 -0.345518 4.266924\nFe B\n4 2\ndirect\n0.250010 0.750010 0.000021 Fe\n0.249991 0.250010 0.500000 Fe\n0.749992 0.249990 0.999980 Fe\n0.750011 0.749991 0.500001 Fe\n0.750001 0.250000 0.500000 B\n0.250001 0.750000 0.500000 B\n",
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"elements": [
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"created_at": "2022-09-04T14:35:45.721847Z",
"updated_at": "2022-09-04T14:35:45.721880Z",
"structure_string": "Bi4 Pd2\n1.0\n4.092830 0.000001 -1.365429\n-0.400926 5.609846 -1.201930\n0.001147 -0.015674 6.820889\nBi Pd\n4 2\ndirect\n0.843376 0.684694 0.686744 Bi\n0.156624 0.315307 0.313257 Bi\n0.427170 0.207400 0.854350 Bi\n0.572830 0.792601 0.145650 Bi\n0.776081 0.170549 0.552173 Pd\n0.223919 0.829452 0.447827 Pd\n",
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{
"id": "jvasp-86754",
"created_at": "2022-09-04T14:36:21.260917Z",
"updated_at": "2022-09-04T14:36:21.260942Z",
"structure_string": "Rb8 Te4\n1.0\n5.553327 0.000000 0.000000\n0.000000 8.888047 0.000000\n0.000000 0.000000 10.975667\nRb Te\n8 4\ndirect\n0.250000 0.030861 0.179403 Rb\n0.750000 0.969139 0.820597 Rb\n0.750000 0.347256 0.071000 Rb\n0.250000 0.152745 0.571000 Rb\n0.250000 0.652745 0.929000 Rb\n0.250000 0.530862 0.320597 Rb\n0.750000 0.847256 0.429000 Rb\n0.750000 0.469139 0.679403 Rb\n0.250000 0.246568 0.884922 Te\n0.750000 0.253432 0.384922 Te\n0.250000 0.746568 0.615079 Te\n0.750000 0.753432 0.115078 Te\n",
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"formula_full": "Rb8 Te4",
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"spacegroup": 62
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{
"id": "jvasp-86750",
"created_at": "2022-09-04T14:36:14.052169Z",
"updated_at": "2022-09-04T14:36:14.052181Z",
"structure_string": "Dy1 Fe2 B2\n1.0\n3.408215 0.000000 -1.195704\n-0.419489 3.382302 -1.195704\n-0.046674 -0.052820 5.322175\nDy Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250001 0.750000 0.500000 Fe\n0.750002 0.250000 0.500001 Fe\n0.341087 0.341085 0.682171 B\n0.658916 0.658914 0.317830 B\n",
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{
"id": "jvasp-8675",
"created_at": "2022-09-04T14:37:07.080330Z",
"updated_at": "2022-09-04T14:37:07.080357Z",
"structure_string": "Pt1 S2 Cl6\n1.0\n4.897811 -0.271387 -0.050607\n-0.781546 6.010423 -0.023445\n-0.994963 -1.774351 7.779418\nPt S Cl\n1 2 6\ndirect\n0.500000 0.500000 0.500000 Pt\n0.207954 0.218718 0.286405 S\n0.792046 0.781281 0.713596 S\n0.560684 0.034942 0.738501 Cl\n0.174544 0.392823 0.672439 Cl\n0.825455 0.607177 0.327561 Cl\n0.218556 0.308321 0.054769 Cl\n0.781443 0.691678 0.945231 Cl\n0.439317 -0.034942 0.261499 Cl\n",
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"volume": 226.77693321423718,
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"structure_string": "Hf2 Al6\n1.0\n3.908247 -0.000000 -0.885158\n-0.200475 3.903102 -0.885158\n0.000664 0.000699 9.073572\nHf Al\n2 6\ndirect\n0.119466 0.119467 0.238933 Hf\n0.880532 0.880533 0.761066 Hf\n0.375549 0.375550 0.751099 Al\n-0.000001 0.500000 -0.000000 Al\n0.624450 0.624450 0.248900 Al\n0.249999 0.750000 0.499999 Al\n0.750000 0.250000 0.500000 Al\n0.500000 0.000000 -0.000000 Al\n",
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{
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"created_at": "2022-09-04T14:36:04.080573Z",
"updated_at": "2022-09-04T14:36:04.080606Z",
"structure_string": "Tb1 Ga2 Co3\n1.0\n5.220734 -0.000000 -0.000000\n-2.610367 4.521289 -0.000000\n-0.000000 0.000000 3.742130\nTb Ga Co\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666666 0.333333 0.000000 Ga\n0.333332 0.666667 0.000000 Ga\n0.499999 0.500000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n",
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"created_at": "2022-09-04T14:36:00.922126Z",
"updated_at": "2022-09-04T14:36:00.922162Z",
"structure_string": "Er10 Bi2 Au4\n1.0\n6.546248 -0.000000 -3.361977\n-1.726620 6.314439 -3.361977\n0.948410 1.242560 9.900917\nEr Bi Au\n10 2 4\ndirect\n0.503197 0.326422 0.329618 Er\n0.326422 0.826422 0.329618 Er\n0.673578 0.173578 0.670382 Er\n0.496804 0.673578 0.670382 Er\n0.000000 0.000000 0.000000 Er\n0.996804 0.496804 0.670382 Er\n0.003196 0.503196 0.329618 Er\n0.826422 0.003196 0.329618 Er\n0.173578 0.996804 0.670382 Er\n0.500000 0.500000 -0.000000 Er\n0.250000 0.250000 0.500000 Bi\n0.750000 0.750000 0.500000 Bi\n0.129172 0.629172 -0.000000 Au\n0.870829 0.370828 -0.000000 Au\n0.370829 0.129172 -0.000000 Au\n0.629172 0.870829 -0.000000 Au\n",
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