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{
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{
"id": "mp-1189723",
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{
"id": "mp-1227631",
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{
"id": "mp-1021311",
"created_at": "2022-09-04T14:39:28.243265Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n4.618020 -4.655007 0.000000\n4.618020 4.655007 0.000000\n0.000000 0.000000 4.580538\nK Mg Nb\n1 6 1\ndirect\n0.869924 0.130076 0.500000 K\n0.370567 0.118812 0.500000 Mg\n0.881188 0.629433 0.500000 Mg\n0.157496 0.404531 0.000000 Mg\n0.595469 0.842504 0.000000 Mg\n0.595422 0.404578 0.000000 Mg\n0.153867 0.846133 0.000000 Mg\n0.376071 0.623929 0.500000 Nb\n",
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{
"id": "mp-1103643",
"created_at": "2022-09-04T14:39:28.242737Z",
"structure_string": "Ni4 S8\n1.0\n3.568595 0.000000 0.000000\n0.000000 5.766509 0.000000\n0.000000 0.000000 9.106198\nNi S\n4 8\ndirect\n0.250000 0.332637 0.866282 Ni\n0.250000 0.167363 0.366282 Ni\n0.750000 0.667363 0.133718 Ni\n0.750000 0.832637 0.633718 Ni\n0.250000 0.940258 0.789656 S\n0.250000 0.559742 0.289656 S\n0.750000 0.059742 0.210344 S\n0.750000 0.440258 0.710344 S\n0.750000 0.207730 0.533424 S\n0.750000 0.292270 0.033424 S\n0.250000 0.792270 0.466576 S\n0.250000 0.707730 0.966576 S\n",
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{
"id": "mp-675106",
"created_at": "2022-09-04T14:39:28.216747Z",
"structure_string": "Tm2 Pa2 O8\n1.0\n-2.358903 2.358903 4.932919\n2.358903 -2.358903 4.932919\n2.358903 2.358903 -4.932919\nTm Pa O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Tm\n0.500000 0.500000 0.000000 Pa\n0.250000 0.750000 0.500000 Pa\n0.375000 0.370507 0.495507 O\n0.120507 0.125000 0.495507 O\n0.875000 0.879493 0.504493 O\n0.875000 0.370507 0.995507 O\n0.629493 0.125000 0.004493 O\n0.629493 0.625000 0.504493 O\n0.120507 0.625000 0.995507 O\n0.375000 0.879493 0.004493 O\n",
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{
"id": "mp-1185706",
"created_at": "2022-09-04T14:39:28.215918Z",
"structure_string": "Mg16 Al12 Si1\n1.0\n5.250543 -7.393885 0.000000\n5.250543 7.393885 0.000000\n-5.161625 0.000000 7.456230\nMg Al Si\n16 12 1\ndirect\n0.280930 0.682570 0.682570 Mg\n0.004312 0.004312 0.004312 Mg\n0.345362 0.997147 0.997147 Mg\n0.704503 0.414353 0.414353 Mg\n0.997295 0.595756 0.316684 Mg\n0.414353 0.704503 0.414353 Mg\n0.595756 0.316684 0.997295 Mg\n0.997147 0.345362 0.997147 Mg\n0.316684 0.997295 0.595756 Mg\n0.682570 0.682570 0.280930 Mg\n0.682570 0.280930 0.682570 Mg\n0.316684 0.595756 0.997295 Mg\n0.997147 0.997147 0.345362 Mg\n0.595756 0.997295 0.316684 Mg\n0.414353 0.414353 0.704503 Mg\n0.997295 0.316684 0.595756 Mg\n0.169048 0.357730 0.357730 Al\n0.808329 0.185504 0.185504 Al\n0.999412 0.814703 0.631374 Al\n0.631374 0.999412 0.814703 Al\n0.357730 0.357730 0.169048 Al\n0.814703 0.999412 0.631374 Al\n0.185504 0.185504 0.808329 Al\n0.185504 0.808329 0.185504 Al\n0.814703 0.631374 0.999412 Al\n0.357730 0.169048 0.357730 Al\n0.631374 0.814703 0.999412 Al\n0.999412 0.631374 0.814703 Al\n0.702447 0.702447 0.702447 Si\n",
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{
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"structure_string": "Li2 Sn2 P8 O24\n1.0\n4.319714 6.095479 0.000000\n-4.319714 6.095479 0.000000\n0.000000 5.050630 8.999023\nLi Sn P O\n2 2 8 24\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.049970 0.950030 0.250000 Sn\n0.950030 0.049970 0.750000 Sn\n0.701581 0.688244 0.801689 P\n0.264991 0.718591 0.978511 P\n0.281409 0.735009 0.521489 P\n0.688244 0.701581 0.301689 P\n0.311756 0.298419 0.698311 P\n0.718591 0.264991 0.478511 P\n0.735009 0.281409 0.021489 P\n0.298419 0.311756 0.198311 P\n0.806801 0.652310 0.657075 O\n0.296845 0.801752 0.078465 O\n0.466751 0.690455 0.845811 O\n0.096774 0.828741 0.913984 O\n0.873268 0.712263 0.325585 O\n0.231477 0.495255 0.063659 O\n0.801752 0.296845 0.578465 O\n0.171259 0.903226 0.586016 O\n0.504745 0.768523 0.436341 O\n0.652310 0.806801 0.157075 O\n0.309545 0.533249 0.654189 O\n0.287737 0.126732 0.174415 O\n0.712263 0.873268 0.825585 O\n0.690455 0.466751 0.345811 O\n0.347690 0.193199 0.842925 O\n0.495255 0.231477 0.563659 O\n0.828741 0.096774 0.413984 O\n0.198248 0.703155 0.421535 O\n0.768523 0.504745 0.936341 O\n0.126732 0.287737 0.674415 O\n0.903226 0.171259 0.086016 O\n0.533249 0.309545 0.154189 O\n0.703155 0.198248 0.921535 O\n0.193199 0.347690 0.342925 O\n",
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"density": 6.305059896499074,
"density_atomic": 0.06841180933102671,
"volume": 190.025671402673,
"volume_molar": 8.80277954769541,
"formula_full": "U1 Al7 Fe3 Cu2",
"formula_reduced": "UAl7Fe3Cu2",
"formula_anonymous": "AB2C3D7",
"energy": -74.53777271,
"energy_per_atom": -5.733674823846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.53777271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.056397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.355000Z",
"spacegroup": 8
}
]
}