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{
"id": "jvasp-38194",
"created_at": "2022-09-04T14:37:50.343299Z",
"updated_at": "2022-09-04T14:37:50.343317Z",
"structure_string": "Rb3 Th1\n1.0\n-0.000000 4.946160 4.946160\n4.946160 0.000000 4.946160\n4.946160 4.946160 0.000000\nRb Th\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Th\n",
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{
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"structure_string": "Hf3 Ta1\n1.0\n4.386864 0.000000 0.000000\n0.000000 4.386864 0.000000\n-0.000000 0.000000 4.386864\nHf Ta\n3 1\ndirect\n-0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.500000 -0.000000 Hf\n0.000000 0.000000 0.000000 Ta\n",
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{
"id": "jvasp-78380",
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"structure_string": "Ba1 N1\n1.0\n-2.851347 -2.851347 -0.000000\n-2.851347 -0.000000 -2.851347\n-0.000000 -2.851347 -2.851347\nBa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 N\n",
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{
"id": "jvasp-107913",
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"updated_at": "2022-09-04T14:37:50.351867Z",
"structure_string": "Cu1 Au3\n1.0\n3.673868 -0.018905 -3.368333\n-0.723314 3.602011 -3.368333\n0.015568 0.018905 4.984248\nCu Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750001 0.250000 0.500001 Au\n0.250001 0.750000 0.500002 Au\n0.500001 0.499999 0.000000 Au\n",
"nsites": 4,
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{
"id": "jvasp-38473",
"created_at": "2022-09-04T14:37:50.366102Z",
"updated_at": "2022-09-04T14:37:50.366115Z",
"structure_string": "Li3 Hg1\n1.0\n-2.129765 2.129765 3.727538\n2.129765 -2.129765 3.727538\n2.129765 2.129765 -3.727538\nLi Hg\n3 1\ndirect\n0.750001 0.250000 0.500001 Li\n0.250000 0.750001 0.500001 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 5.436342015971202,
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"volume": 67.63094287904593,
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"formula_full": "Li3 Hg1",
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{
"id": "jvasp-39389",
"created_at": "2022-09-04T14:37:50.371540Z",
"updated_at": "2022-09-04T14:37:50.371569Z",
"structure_string": "Li1 Cd3\n1.0\n-0.000000 3.432752 3.432752\n3.432752 0.000000 3.432752\n3.432752 3.432752 0.000000\nLi Cd\n1 3\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.250001 0.250001 0.250001 Cd\n",
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"elements": [
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{
"id": "jvasp-16455",
"created_at": "2022-09-04T14:37:59.079917Z",
"updated_at": "2022-09-04T14:37:59.079932Z",
"structure_string": "Ba2 Cd4\n1.0\n4.833396 -0.000000 2.073511\n2.316898 6.040284 1.269390\n0.033339 0.058106 6.592414\nBa Cd\n2 4\ndirect\n0.544104 0.705897 0.205896 Ba\n0.455897 0.294103 0.794102 Ba\n0.835234 0.722399 0.607135 Cd\n0.164767 0.277601 0.392864 Cd\n0.835234 0.107136 0.222398 Cd\n0.164768 0.892864 0.777601 Cd\n",
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{
"id": "jvasp-38195",
"created_at": "2022-09-04T14:37:50.378986Z",
"updated_at": "2022-09-04T14:37:50.379014Z",
"structure_string": "Rb4 Mg2\n1.0\n0.000000 0.000000 5.637623\n6.573768 3.795364 0.000000\n-1.145374 9.574577 0.000000\nRb Mg\n4 2\ndirect\n0.500000 0.366678 0.051527 Rb\n0.000000 0.915128 0.051528 Rb\n0.000000 0.633323 0.615138 Rb\n0.500000 0.084871 0.615139 Rb\n0.000000 0.390950 0.333334 Mg\n0.500000 0.609051 0.333334 Mg\n",
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{
"id": "jvasp-54444",
"created_at": "2022-09-04T14:37:46.910230Z",
"updated_at": "2022-09-04T14:37:46.910251Z",
"structure_string": "Fe12 C4\n1.0\n4.643396 0.000000 0.000000\n-0.000000 5.024363 0.000000\n0.000000 0.000000 6.998757\nFe C\n12 4\ndirect\n0.349583 0.166794 0.421908 Fe\n0.150418 0.666793 0.078092 Fe\n0.849583 0.333206 0.921908 Fe\n0.340210 0.447572 0.750000 Fe\n0.150418 0.666793 0.421908 Fe\n0.349583 0.166794 0.078092 Fe\n0.159791 0.947571 0.750000 Fe\n0.650418 0.833206 0.921908 Fe\n0.849583 0.333206 0.578092 Fe\n0.659791 0.552428 0.250000 Fe\n0.650418 0.833206 0.578092 Fe\n0.840210 0.052428 0.250000 Fe\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-30290",
"created_at": "2022-09-04T14:37:50.389321Z",
"updated_at": "2022-09-04T14:37:50.389347Z",
"structure_string": "Mn4 F14\n1.0\n5.264387 0.712750 -0.213672\n2.304048 4.786769 0.213672\n-1.154262 1.588495 9.479190\nMn F\n4 14\ndirect\n0.231742 0.326110 0.419470 Mn\n0.326110 0.231741 0.080530 Mn\n0.673891 0.768258 0.919470 Mn\n0.768260 0.673889 0.580530 Mn\n0.940841 0.329932 0.973568 F\n0.535083 0.804817 0.092416 F\n0.645373 0.209487 0.171220 F\n0.790514 0.354627 0.671220 F\n0.670068 0.059160 0.473568 F\n0.329934 0.940839 0.526432 F\n0.354629 0.790512 0.828780 F\n0.797905 0.797903 0.750000 F\n0.464919 0.195182 0.907584 F\n0.059161 0.670067 0.026432 F\n0.202096 0.202096 0.250000 F\n0.195184 0.464917 0.592416 F\n0.209488 0.645372 0.328780 F\n0.804818 0.535082 0.407584 F\n",
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{
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"structure_string": "Ag2 N2\n1.0\n3.955770 -1.121543 -0.074633\n-1.244591 3.919507 0.032766\n0.077931 -0.008437 4.099091\nAg N\n2 2\ndirect\n0.400072 0.720810 -0.003478 Ag\n0.712295 0.408655 0.496486 Ag\n0.559627 0.828986 0.496441 N\n0.820385 0.568111 -0.003595 N\n",
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{
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"structure_string": "Ca2 P6\n1.0\n5.604255 -0.010142 0.001294\n1.478251 5.427305 -0.006113\n1.022475 1.720260 5.320786\nCa P\n2 6\ndirect\n0.676897 0.642805 0.645037 Ca\n0.323102 0.357196 0.354964 Ca\n0.597565 0.797266 0.100485 P\n0.402434 0.202735 0.899516 P\n0.002887 0.202197 0.997434 P\n0.997112 0.797804 0.002567 P\n0.129485 0.821178 0.603549 P\n0.870514 0.178824 0.396452 P\n",
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