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            "structure_string": "Tb2 H36 Br6 O36\n1.0\n5.900710 -10.220329 0.000000\n5.900710 10.220329 0.000000\n0.000000 0.000000 6.794054\nTb H Br O\n2 36 6 36\ndirect\n0.333333 0.666667 0.746760 Tb\n0.666667 0.333333 0.246760 Tb\n0.117656 0.745798 0.757233 H\n0.254202 0.371858 0.757233 H\n0.628142 0.882344 0.757233 H\n0.254202 0.882344 0.757233 H\n0.628142 0.745798 0.757233 H\n0.117656 0.371858 0.757233 H\n0.882344 0.254202 0.257233 H\n0.745798 0.628142 0.257233 H\n0.371858 0.117656 0.257233 H\n0.745798 0.117656 0.257233 H\n0.371858 0.254202 0.257233 H\n0.882344 0.628142 0.257233 H\n0.370728 0.496462 0.060773 H\n0.503538 0.874266 0.060773 H\n0.125734 0.629272 0.060773 H\n0.503538 0.629272 0.060773 H\n0.125734 0.496462 0.060773 H\n0.370728 0.874266 0.060773 H\n0.629321 0.504302 0.939741 H\n0.495698 0.125019 0.939741 H\n0.874981 0.370679 0.939741 H\n0.495698 0.370679 0.939741 H\n0.874981 0.504302 0.939741 H\n0.629321 0.125019 0.939741 H\n0.629272 0.503538 0.560773 H\n0.496462 0.125734 0.560773 H\n0.874266 0.370728 0.560773 H\n0.496462 0.370728 0.560773 H\n0.874266 0.503538 0.560773 H\n0.629272 0.125734 0.560773 H\n0.370679 0.495698 0.439741 H\n0.504302 0.874981 0.439741 H\n0.125019 0.629321 0.439741 H\n0.504302 0.629321 0.439741 H\n0.125019 0.495698 0.439741 H\n0.370679 0.874981 0.439741 H\n0.129907 0.870093 0.257300 Br\n0.129907 0.259815 0.257300 Br\n0.740185 0.870093 0.257300 Br\n0.870093 0.129907 0.757300 Br\n0.870093 0.740185 0.757300 Br\n0.259815 0.129907 0.757300 Br\n0.295629 0.932502 0.251191 O\n0.067498 0.363127 0.251191 O\n0.636873 0.704371 0.251191 O\n0.067498 0.704371 0.251191 O\n0.636873 0.932502 0.251191 O\n0.295629 0.363127 0.251191 O\n0.704371 0.067498 0.751191 O\n0.932502 0.636873 0.751191 O\n0.363127 0.295629 0.751191 O\n0.932502 0.295629 0.751191 O\n0.363127 0.067498 0.751191 O\n0.704371 0.636873 0.751191 O\n0.422815 0.577185 0.983993 O\n0.422815 0.845630 0.983993 O\n0.154370 0.577185 0.983993 O\n0.577055 0.422945 0.014900 O\n0.577055 0.154110 0.014900 O\n0.845890 0.422945 0.014900 O\n0.577185 0.422815 0.483993 O\n0.577185 0.154370 0.483993 O\n0.845630 0.422815 0.483993 O\n0.422945 0.577055 0.514900 O\n0.422945 0.845890 0.514900 O\n0.154110 0.577055 0.514900 O\n0.212698 0.787302 0.736144 O\n0.212698 0.425396 0.736144 O\n0.574604 0.787302 0.736144 O\n0.787302 0.212698 0.236144 O\n0.787302 0.574604 0.236144 O\n0.425396 0.212698 0.236144 O\n0.092253 0.907747 0.041736 O\n0.092253 0.184507 0.041736 O\n0.815493 0.907747 0.041736 O\n0.907747 0.092253 0.541736 O\n0.907747 0.815493 0.541736 O\n0.184507 0.092253 0.541736 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Tb",
                "H",
                "Br",
                "O"
            ],
            "chemical_system": "Br-H-O-Tb",
            "density": 2.856261975564167,
            "density_atomic": 0.09762518044504584,
            "volume": 819.4607132637545,
            "volume_molar": 6.168634703205411,
            "formula_full": "Tb2 H36 Br6 O36",
            "formula_reduced": "TbH18(BrO6)3",
            "formula_anonymous": "AB3C18D18",
            "energy": -415.01786117,
            "energy_per_atom": -5.187723264625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -390.28586117,
            "band_gap": 4.4174,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.72e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:25.441000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1079758",
            "created_at": "2022-09-04T14:43:13.836326Z",
            "structure_string": "Tb2 H2 O4\n1.0\n3.693715 0.000000 0.000000\n0.000000 4.366469 0.000000\n0.000000 1.995417 5.713820\nTb H O\n2 2 4\ndirect\n0.750000 0.834315 0.811539 Tb\n0.250000 0.165685 0.188461 Tb\n0.750000 0.477463 0.417470 H\n0.250000 0.522537 0.582530 H\n0.750000 0.266049 0.949513 O\n0.250000 0.733951 0.050487 O\n0.750000 0.247343 0.436304 O\n0.250000 0.752657 0.563696 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Tb",
                "H",
                "O"
            ],
            "chemical_system": "H-O-Tb",
            "density": 6.91681828806825,
            "density_atomic": 0.08680998233590638,
            "volume": 92.15530040133457,
            "volume_molar": 6.937152384961516,
            "formula_full": "Tb2 H2 O4",
            "formula_reduced": "TbHO2",
            "formula_anonymous": "ABC2",
            "energy": -59.8089158,
            "energy_per_atom": -7.476114475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.0609158,
            "band_gap": 3.9499,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2e-07,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:07.185000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-504474",
            "created_at": "2022-09-04T14:40:32.382426Z",
            "structure_string": "Tb2 H2 O4\n1.0\n3.685733 0.000000 0.000000\n0.000000 4.509203 0.000000\n0.000000 0.000000 5.553533\nTb H O\n2 2 4\ndirect\n0.000000 0.000000 0.809474 Tb\n0.500000 0.500000 0.190526 Tb\n0.500000 0.000000 0.392553 H\n0.000000 0.500000 0.607447 H\n0.500000 0.000000 0.076826 O\n0.000000 0.500000 0.923174 O\n0.500000 0.000000 0.570509 O\n0.000000 0.500000 0.429491 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Tb",
                "H",
                "O"
            ],
            "chemical_system": "H-O-Tb",
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            "density_atomic": 0.08667562297114262,
            "volume": 92.29815403419117,
            "volume_molar": 6.947905943525764,
            "formula_full": "Tb2 H2 O4",
            "formula_reduced": "TbHO2",
            "formula_anonymous": "ABC2",
            "energy": -59.14483634,
            "energy_per_atom": -7.3931045425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.39683634,
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            "is_magnetic": false,
            "total_magnetization": 1.59e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:56.659000Z",
            "spacegroup": 59
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    ]
}