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{
"id": "jvasp-109442",
"created_at": "2022-09-04T14:38:16.021205Z",
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"structure_string": "Na2 Sc1 Ag1 Cl6\n1.0\n6.267830 -0.000000 3.618733\n2.089277 5.909367 3.618733\n-0.000000 -0.000000 7.237467\nNa Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.758771 0.241230 0.241229 Cl\n0.241230 0.241230 0.758771 Cl\n0.241230 0.758771 0.758770 Cl\n0.241230 0.758771 0.241229 Cl\n0.758771 0.241230 0.758770 Cl\n0.758771 0.758771 0.241228 Cl\n",
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{
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{
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"created_at": "2022-09-04T14:38:06.255099Z",
"updated_at": "2022-09-04T14:38:06.255124Z",
"structure_string": "Na4 Sn2 Te2 O12\n1.0\n0.000000 5.459253 0.001028\n5.544474 0.000000 0.000000\n0.000000 -5.459594 -7.785571\nNa Sn Te O\n4 2 2 12\ndirect\n0.240649 0.956288 0.250408 Na\n0.759351 0.456289 0.249592 Na\n0.240649 0.543711 0.750408 Na\n0.759351 0.043711 0.749592 Na\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.663225 0.029550 0.258786 O\n0.336775 0.529549 0.241213 O\n0.138952 0.789359 0.949387 O\n0.861049 0.289359 0.550613 O\n0.861048 0.210641 0.050613 O\n0.756751 0.694344 0.048126 O\n0.243249 0.305655 0.951873 O\n0.756751 0.805655 0.548126 O\n0.663225 0.470450 0.758786 O\n0.243249 0.194344 0.451874 O\n0.138951 0.710640 0.449387 O\n0.336775 0.970450 0.741213 O\n",
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{
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"updated_at": "2022-09-04T14:38:18.680725Z",
"structure_string": "Rb2 Li1 Sb1 I6\n1.0\n7.254870 -0.000000 4.188601\n2.418290 6.839957 4.188601\n-0.000000 -0.000000 8.377202\nRb Li Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.745834 0.254166 0.254166 I\n0.254166 0.254166 0.745834 I\n0.254166 0.745834 0.745834 I\n0.254166 0.745834 0.254166 I\n0.745834 0.254166 0.745834 I\n0.745834 0.745834 0.254166 I\n",
"nsites": 10,
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"density_atomic": 0.024055700389213418,
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{
"id": "jvasp-109483",
"created_at": "2022-09-04T14:38:06.604830Z",
"updated_at": "2022-09-04T14:38:06.604857Z",
"structure_string": "K1 Na2 Ir1 F6\n1.0\n5.427354 -0.000000 3.133484\n1.809118 5.116958 3.133484\n-0.000000 -0.000000 6.266969\nK Na Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ir\n0.771998 0.228002 0.228001 F\n0.228001 0.228002 0.771998 F\n0.228002 0.771999 0.771998 F\n0.228002 0.771999 0.228001 F\n0.771998 0.228002 0.771998 F\n0.771998 0.771999 0.228001 F\n",
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{
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"created_at": "2022-09-04T14:38:09.486316Z",
"updated_at": "2022-09-04T14:38:09.486329Z",
"structure_string": "K2 Tl1 Hg1 Br6\n1.0\n6.932639 -0.000000 4.002561\n2.310880 6.536154 4.002561\n-0.000000 -0.000000 8.005122\nK Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746317 0.253683 0.253683 Br\n0.253683 0.253683 0.746317 Br\n0.253683 0.746316 0.746317 Br\n0.253683 0.746316 0.253683 Br\n0.746317 0.253683 0.746317 Br\n0.746317 0.746316 0.253683 Br\n",
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"formula_full": "K2 Tl1 Hg1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-44219",
"created_at": "2022-09-04T14:38:10.684432Z",
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"structure_string": "Li1 Cr1 Co2 O6\n1.0\n2.856904 0.000794 -0.000629\n-0.001836 5.834908 0.078192\n-1.426509 -1.548788 5.872254\nLi Cr Co O\n1 1 2 6\ndirect\n0.666671 0.833290 0.333308 Li\n0.666536 0.333311 0.333339 Cr\n0.337931 0.659813 0.675788 Co\n0.995482 0.006880 0.990883 Co\n0.506089 0.221281 0.012044 O\n0.174269 0.563762 0.348633 O\n0.158943 0.102881 0.318046 O\n0.838510 0.876526 0.676922 O\n0.827326 0.445417 0.654622 O\n0.494888 0.790167 0.989743 O\n",
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"volume": 98.22979719326895,
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"formula_full": "Li1 Cr1 Co2 O6",
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{
"id": "jvasp-12489",
"created_at": "2022-09-04T14:38:04.719371Z",
"updated_at": "2022-09-04T14:38:04.719388Z",
"structure_string": "Ba2 Bi1 Sb1 O6\n1.0\n5.287878 -0.015965 3.002172\n1.740369 4.993298 3.002172\n-0.022543 -0.015965 6.080640\nBa Bi Sb O\n2 1 1 6\ndirect\n0.748937 0.748935 0.748935 Ba\n0.251064 0.251063 0.251064 Ba\n0.000000 0.000000 0.000000 Bi\n0.500001 0.499999 0.500000 Sb\n0.271649 0.780730 0.683105 O\n0.780731 0.683105 0.271647 O\n0.683107 0.271647 0.780730 O\n0.728353 0.219269 0.316894 O\n0.316895 0.728352 0.219269 O\n0.219271 0.316894 0.728352 O\n",
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"id": "jvasp-12244",
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"structure_string": "Ba2 Ca1 Mo1 O6\n1.0\n5.167123 -0.000000 2.983240\n1.722374 4.871610 2.983240\n-0.000000 -0.000000 5.966480\nBa Ca Mo O\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Ba\n0.250000 0.250000 0.249999 Ba\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mo\n0.229172 0.770827 0.770828 O\n0.229172 0.770827 0.229173 O\n0.770826 0.229172 0.770829 O\n0.229172 0.229172 0.770828 O\n0.770826 0.229172 0.229174 O\n0.770827 0.770827 0.229173 O\n",
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"id": "jvasp-109881",
"created_at": "2022-09-04T14:38:18.330339Z",
"updated_at": "2022-09-04T14:38:18.330358Z",
"structure_string": "Rb2 Y1 Au1 F6\n1.0\n5.649682 -0.000000 3.261845\n1.883227 5.326571 3.261845\n-0.000000 -0.000000 6.523690\nRb Y Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 Au\n0.766225 0.233775 0.233776 F\n0.233775 0.233775 0.766225 F\n0.233776 0.766224 0.766225 F\n0.233776 0.766224 0.233776 F\n0.766225 0.233775 0.766225 F\n0.766225 0.766224 0.233776 F\n",
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{
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"created_at": "2022-09-04T14:38:15.788469Z",
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"structure_string": "K2 Li1 Pd1 F6\n1.0\n4.977010 -0.000000 2.873478\n1.659003 4.692370 2.873478\n-0.000000 -0.000000 5.746956\nK Li Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pd\n0.748469 0.251530 0.251531 F\n0.251530 0.251530 0.748470 F\n0.251530 0.748470 0.748471 F\n0.251530 0.748470 0.251531 F\n0.748469 0.251530 0.748471 F\n0.748469 0.748470 0.251531 F\n",
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{
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}