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{
"id": "mp-557578",
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{
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{
"id": "mp-31294",
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{
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{
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{
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"structure_string": "Ba14 Al8 Sb18\n1.0\n7.334318 0.000000 0.000000\n0.000000 10.896987 0.000000\n0.000000 0.000000 18.422505\nBa Al Sb\n14 8 18\ndirect\n0.455184 0.500000 0.787125 Ba\n0.455184 0.500000 0.212875 Ba\n0.544816 0.000000 0.712875 Ba\n0.544816 0.000000 0.287125 Ba\n0.952575 0.273867 0.875798 Ba\n0.952575 0.726133 0.875798 Ba\n0.952575 0.273867 0.124202 Ba\n0.952575 0.726133 0.124202 Ba\n0.047425 0.226133 0.624202 Ba\n0.047425 0.773867 0.624202 Ba\n0.047425 0.226133 0.375798 Ba\n0.047425 0.773867 0.375798 Ba\n0.413367 0.500000 0.500000 Ba\n0.586633 0.000000 0.000000 Ba\n0.759042 0.500000 0.373427 Al\n0.759042 0.500000 0.626573 Al\n0.240958 0.000000 0.126573 Al\n0.240958 0.000000 0.873427 Al\n0.560117 0.825123 0.500000 Al\n0.560117 0.174877 0.500000 Al\n0.439883 0.674877 0.000000 Al\n0.439883 0.325123 0.000000 Al\n0.547328 0.291341 0.368933 Sb\n0.547328 0.708659 0.368933 Sb\n0.547328 0.291341 0.631067 Sb\n0.547328 0.708659 0.631067 Sb\n0.452672 0.208659 0.131067 Sb\n0.452672 0.791341 0.131067 Sb\n0.452672 0.208659 0.868933 Sb\n0.452672 0.791341 0.868933 Sb\n0.979705 0.500000 0.258709 Sb\n0.979705 0.500000 0.741291 Sb\n0.020295 0.000000 0.241291 Sb\n0.020295 0.000000 0.758709 Sb\n0.709954 0.500000 0.000000 Sb\n0.290046 0.000000 0.500000 Sb\n0.169049 0.500000 0.000000 Sb\n0.830951 0.000000 0.500000 Sb\n0.952672 0.500000 0.500000 Sb\n0.047328 0.000000 0.000000 Sb\n",
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{
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{
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{
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{
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"chemical_system": "Ag-Pb-Sr",
"density": 0.46765366598601815,
"density_atomic": 0.0022975558674899342,
"volume": 1740.9805161212362,
"volume_molar": 262.11074321248833,
"formula_full": "Sr2 Ag1 Pb1",
"formula_reduced": "Sr2AgPb",
"formula_anonymous": "ABC2",
"energy": -5.85567258,
"energy_per_atom": -1.463918145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.85567258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.877000Z",
"spacegroup": 71
}
]
}