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            "structure_string": "Rb6 Y3 N15 O45\n1.0\n5.674594 -9.828686 0.000000\n5.674594 9.828686 0.000000\n0.000000 0.000000 9.476222\nRb Y N O\n6 3 15 45\ndirect\n0.871365 0.666495 0.372499 Rb\n0.333505 0.204870 0.705832 Rb\n0.795130 0.128635 0.039165 Rb\n0.606268 0.939516 0.539773 Rb\n0.060484 0.666751 0.873107 Rb\n0.333249 0.393732 0.206440 Rb\n0.332492 0.993240 0.204674 Y\n0.006760 0.339252 0.538007 Y\n0.660748 0.667508 0.871341 Y\n0.661818 0.414210 0.937656 N\n0.585790 0.247607 0.270990 N\n0.752393 0.338182 0.604323 N\n0.080927 0.996214 0.138721 N\n0.003786 0.084712 0.472054 N\n0.915288 0.919073 0.805387 N\n0.230722 0.921053 0.494912 N\n0.078947 0.309669 0.828245 N\n0.690331 0.769278 0.161578 N\n0.588948 0.564555 0.581149 N\n0.435445 0.024394 0.914483 N\n0.975606 0.411052 0.247816 N\n0.332899 0.743493 0.200524 N\n0.256507 0.589407 0.533858 N\n0.410593 0.667101 0.867191 N\n0.866275 0.449755 0.613817 O\n0.550245 0.416521 0.947151 O\n0.583479 0.133725 0.280484 O\n0.471870 0.239173 0.234929 O\n0.760827 0.232697 0.568263 O\n0.767303 0.528130 0.901596 O\n0.689184 0.358060 0.292636 O\n0.641940 0.331124 0.625969 O\n0.668876 0.310816 0.959303 O\n0.084303 0.885181 0.129919 O\n0.114819 0.199123 0.463253 O\n0.800877 0.915697 0.796586 O\n0.193540 0.101853 0.176742 O\n0.898147 0.091687 0.510076 O\n0.908313 0.806460 0.843409 O\n0.025059 0.022819 0.780886 O\n0.977181 0.002240 0.114219 O\n0.997760 0.974941 0.447553 O\n0.173067 0.839319 0.391383 O\n0.160681 0.333749 0.724716 O\n0.666251 0.826933 0.058050 O\n0.338369 0.035068 0.462407 O\n0.964932 0.303301 0.795740 O\n0.696699 0.661631 0.129074 O\n0.187083 0.894792 0.616606 O\n0.105208 0.292291 0.949940 O\n0.707709 0.812917 0.283273 O\n0.702874 0.672455 0.613338 O\n0.327545 0.030419 0.946671 O\n0.969581 0.297126 0.280005 O\n0.506359 0.508260 0.684288 O\n0.491740 0.998099 0.017622 O\n0.001901 0.493641 0.350955 O\n0.563554 0.519337 0.459951 O\n0.480663 0.044218 0.793284 O\n0.955782 0.436446 0.126617 O\n0.515735 0.754481 0.797286 O\n0.245519 0.761254 0.130619 O\n0.238746 0.484265 0.463953 O\n0.153891 0.573004 0.607217 O\n0.426996 0.580886 0.940551 O\n0.419114 0.846109 0.273884 O\n0.333717 0.635900 0.196893 O\n0.364100 0.697818 0.530227 O\n0.302182 0.666283 0.863560 O\n",
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            "created_at": "2022-09-04T14:44:23.606149Z",
            "structure_string": "Rb2 Y1 Tl1 Br6\n1.0\n0.000000 5.993271 5.993271\n5.993271 0.000000 5.993271\n5.993271 5.993271 0.000000\nRb Y Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.766637 0.233363 0.233363 Br\n0.233363 0.233363 0.766637 Br\n0.233363 0.766637 0.766637 Br\n0.233363 0.766637 0.233363 Br\n0.766637 0.233363 0.766637 Br\n0.766637 0.766637 0.233363 Br\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Y",
                "Tl",
                "Br"
            ],
            "chemical_system": "Br-Rb-Tl-Y",
            "density": 3.6394664761459565,
            "density_atomic": 0.023226205108867373,
            "volume": 430.5481654505052,
            "volume_molar": 25.928216563027114,
            "formula_full": "Rb2 Y1 Tl1 Br6",
            "formula_reduced": "Rb2YTlBr6",
            "formula_anonymous": "ABC2D6",
            "energy": -40.10803251,
            "energy_per_atom": -4.0108032510000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.90403251,
            "band_gap": 3.5841000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001145,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:20.920000Z",
            "spacegroup": 225
        }
    ]
}