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{
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{
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{
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"structure_string": "Tb2 Al4 Ni1 Ge2\n1.0\n-2.075301 2.075301 9.731971\n2.075301 -2.075301 9.731971\n2.075301 2.075301 -9.731971\nTb Al Ni Ge\n2 4 1 2\ndirect\n0.814019 0.814019 0.000000 Tb\n0.185981 0.185981 0.000000 Tb\n0.432695 0.932695 0.500000 Al\n0.932695 0.432695 0.500000 Al\n0.067305 0.567305 0.500000 Al\n0.567305 0.067305 0.500000 Al\n0.000000 0.000000 0.000000 Ni\n0.662274 0.662274 0.000000 Ge\n0.337726 0.337726 0.000000 Ge\n",
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{
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"structure_string": "Tb2 Al3 Si2\n1.0\n2.026877 5.131069 0.000000\n-2.026877 5.131069 0.000000\n0.000000 1.287680 6.521000\nTb Al Si\n2 3 2\ndirect\n0.619870 0.619870 0.677434 Tb\n0.380130 0.380130 0.322566 Tb\n0.305591 0.305591 0.866365 Al\n0.000000 0.000000 0.000000 Al\n0.694409 0.694409 0.133635 Al\n0.092680 0.092680 0.359393 Si\n0.907320 0.907320 0.640607 Si\n",
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{
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"structure_string": "Tb4 Al18 Rh6\n1.0\n3.815744 -6.526849 0.000000\n3.815744 6.526849 0.000000\n0.000000 0.000000 9.497425\nTb Al Rh\n4 18 6\ndirect\n0.994672 0.670212 0.250000 Tb\n0.005328 0.329788 0.750000 Tb\n0.670212 0.994672 0.250000 Tb\n0.329788 0.005328 0.750000 Tb\n0.127755 0.127755 0.250000 Al\n0.872245 0.872245 0.750000 Al\n0.001511 0.335085 0.073892 Al\n0.998489 0.664915 0.926108 Al\n0.998489 0.664915 0.573892 Al\n0.335085 0.001511 0.426108 Al\n0.001511 0.335085 0.426108 Al\n0.664915 0.998489 0.573892 Al\n0.664915 0.998489 0.926108 Al\n0.335085 0.001511 0.073892 Al\n0.333321 0.333321 0.550188 Al\n0.666679 0.666679 0.449812 Al\n0.666679 0.666679 0.050188 Al\n0.333321 0.333321 0.949812 Al\n0.338768 0.548074 0.250000 Al\n0.661232 0.451926 0.750000 Al\n0.548074 0.338768 0.250000 Al\n0.451926 0.661232 0.750000 Al\n0.671910 0.328090 0.000000 Rh\n0.328090 0.671910 0.000000 Rh\n0.328090 0.671910 0.500000 Rh\n0.671910 0.328090 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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"formula_full": "Tb4 Al18 Rh6",
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{
"id": "mp-1217683",
"created_at": "2022-09-04T14:44:12.979075Z",
"structure_string": "Tb2 Al3 Pt1\n1.0\n4.678329 -2.775203 0.000000\n4.678329 2.775203 0.000000\n3.032068 0.000000 4.516092\nTb Al Pt\n2 3 1\ndirect\n0.625040 0.625040 0.625040 Tb\n0.374960 0.374960 0.374960 Tb\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "mp-1208555",
"created_at": "2022-09-04T14:48:27.974511Z",
"structure_string": "Tb4 Al18 Pd6\n1.0\n3.852144 -6.632998 0.000000\n3.852144 6.632998 0.000000\n0.000000 0.000000 9.512166\nTb Al Pd\n4 18 6\ndirect\n0.994391 0.669426 0.250000 Tb\n0.005609 0.330574 0.750000 Tb\n0.669426 0.994391 0.250000 Tb\n0.330574 0.005609 0.750000 Tb\n0.127802 0.127802 0.250000 Al\n0.872198 0.872198 0.750000 Al\n0.000515 0.334173 0.076020 Al\n0.999485 0.665827 0.923980 Al\n0.999485 0.665827 0.576020 Al\n0.334173 0.000515 0.423980 Al\n0.000515 0.334173 0.423980 Al\n0.665827 0.999485 0.576020 Al\n0.665827 0.999485 0.923980 Al\n0.334173 0.000515 0.076020 Al\n0.334006 0.334006 0.559297 Al\n0.665994 0.665994 0.440703 Al\n0.665994 0.665994 0.059297 Al\n0.334006 0.334006 0.940703 Al\n0.337090 0.545448 0.250000 Al\n0.662910 0.454552 0.750000 Al\n0.545448 0.337090 0.250000 Al\n0.454552 0.662910 0.750000 Al\n0.671330 0.328670 0.000000 Pd\n0.328670 0.671330 0.000000 Pd\n0.328670 0.671330 0.500000 Pd\n0.671330 0.328670 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
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{
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{
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"id": "mp-1202952",
"created_at": "2022-09-04T14:39:07.354252Z",
"structure_string": "Tb4 Al34\n1.0\n4.738229 -8.206853 0.000000\n4.738229 8.206853 0.000000\n0.000000 0.000000 8.876703\nTb Al\n4 34\ndirect\n0.000000 0.000000 0.250000 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.398643 Al\n0.666667 0.333333 0.601357 Al\n0.666667 0.333333 0.898643 Al\n0.333333 0.666667 0.101357 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.327587 0.364331 0.250000 Al\n0.635669 0.963255 0.250000 Al\n0.036745 0.672413 0.250000 Al\n0.635669 0.672413 0.250000 Al\n0.036745 0.364331 0.250000 Al\n0.327587 0.963255 0.250000 Al\n0.672413 0.635669 0.750000 Al\n0.364331 0.036745 0.750000 Al\n0.963255 0.327587 0.750000 Al\n0.364331 0.327587 0.750000 Al\n0.963255 0.635669 0.750000 Al\n0.672413 0.036745 0.750000 Al\n0.163340 0.836660 0.526591 Al\n0.163340 0.326680 0.526591 Al\n0.673320 0.836660 0.526591 Al\n0.836660 0.163340 0.473409 Al\n0.836660 0.673320 0.473409 Al\n0.326680 0.163340 0.473409 Al\n0.836660 0.163340 0.026591 Al\n0.836660 0.673320 0.026591 Al\n0.326680 0.163340 0.026591 Al\n0.163340 0.836660 0.973409 Al\n0.163340 0.326680 0.973409 Al\n0.673320 0.836660 0.973409 Al\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 3.7356551672737006,
"density_atomic": 0.05504390170920011,
"volume": 690.3580382211284,
"volume_molar": 10.940613897276567,
"formula_full": "Tb4 Al34",
"formula_reduced": "Tb2Al17",
"formula_anonymous": "A2B17",
"energy": -149.68533782,
"energy_per_atom": -3.939087837368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.68533782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.162000Z",
"spacegroup": 194
}
]
}