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{
"id": "mp-1192190",
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{
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{
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"created_at": "2022-09-04T14:42:18.950145Z",
"structure_string": "Gd2 Al2 Si2\n1.0\n-2.075065 2.075065 7.246116\n2.075065 -2.075065 7.246116\n2.075065 2.075065 -7.246116\nGd Al Si\n2 2 2\ndirect\n0.125244 0.625244 0.500000 Gd\n0.375244 0.375244 0.000000 Gd\n0.792201 0.792201 0.000000 Al\n0.542201 0.042201 0.500000 Al\n0.707555 0.207555 0.500000 Si\n0.957555 0.957555 0.000000 Si\n",
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{
"id": "mp-1192913",
"created_at": "2022-09-04T14:44:55.259789Z",
"structure_string": "Gd2 Al20 Ru4\n1.0\n4.551779 -5.125639 0.000000\n4.551779 5.125639 0.000000\n0.000000 0.000000 9.147424\nGd Al Ru\n2 20 4\ndirect\n0.873559 0.126441 0.750000 Gd\n0.126441 0.873559 0.250000 Gd\n0.413665 0.141555 0.750000 Al\n0.141555 0.413665 0.250000 Al\n0.586335 0.858445 0.250000 Al\n0.858445 0.586335 0.750000 Al\n0.519002 0.780605 0.750000 Al\n0.780605 0.519002 0.250000 Al\n0.480998 0.219395 0.250000 Al\n0.219395 0.480998 0.750000 Al\n0.842277 0.157723 0.399579 Al\n0.157723 0.842277 0.600421 Al\n0.842277 0.157723 0.100421 Al\n0.157723 0.842277 0.899579 Al\n0.623202 0.376798 0.548927 Al\n0.376798 0.623202 0.451073 Al\n0.623202 0.376798 0.951073 Al\n0.376798 0.623202 0.048927 Al\n0.773938 0.773938 0.000000 Al\n0.773938 0.773938 0.500000 Al\n0.226062 0.226062 0.000000 Al\n0.226062 0.226062 0.500000 Al\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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{
"id": "mp-1212705",
"created_at": "2022-09-04T14:41:01.349311Z",
"structure_string": "Gd4 Al4 Rh4\n1.0\n4.224524 0.000000 0.000000\n0.000000 6.991860 0.000000\n0.000000 0.000000 7.961242\nGd Al Rh\n4 4 4\ndirect\n0.250000 0.538915 0.180651 Gd\n0.750000 0.461085 0.819349 Gd\n0.750000 0.961085 0.680651 Gd\n0.250000 0.038915 0.319349 Gd\n0.250000 0.635176 0.562009 Al\n0.750000 0.364824 0.437991 Al\n0.750000 0.864824 0.062009 Al\n0.250000 0.135176 0.937991 Al\n0.250000 0.767219 0.882571 Rh\n0.750000 0.232781 0.117429 Rh\n0.750000 0.732781 0.382571 Rh\n0.250000 0.267219 0.617429 Rh\n",
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"formula_full": "Gd4 Al4 Rh4",
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{
"id": "mp-1213364",
"created_at": "2022-09-04T14:40:30.482669Z",
"structure_string": "Gd4 Al18 Rh6\n1.0\n3.809021 -6.529026 0.000000\n3.809021 6.529026 0.000000\n0.000000 0.000000 9.512062\nGd Al Rh\n4 18 6\ndirect\n0.995514 0.668747 0.250000 Gd\n0.004486 0.331253 0.750000 Gd\n0.668747 0.995514 0.250000 Gd\n0.331253 0.004486 0.750000 Gd\n0.125940 0.125940 0.250000 Al\n0.874060 0.874060 0.750000 Al\n0.001927 0.334480 0.073078 Al\n0.998073 0.665520 0.926922 Al\n0.998073 0.665520 0.573078 Al\n0.334480 0.001927 0.426922 Al\n0.001927 0.334480 0.426922 Al\n0.665520 0.998073 0.573078 Al\n0.665520 0.998073 0.926922 Al\n0.334480 0.001927 0.073078 Al\n0.334095 0.334095 0.553423 Al\n0.665905 0.665905 0.446577 Al\n0.665905 0.665905 0.053423 Al\n0.334095 0.334095 0.946577 Al\n0.337038 0.546742 0.250000 Al\n0.662962 0.453258 0.750000 Al\n0.546742 0.337038 0.250000 Al\n0.453258 0.662962 0.750000 Al\n0.671602 0.328398 0.000000 Rh\n0.328398 0.671602 0.000000 Rh\n0.328398 0.671602 0.500000 Rh\n0.671602 0.328398 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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{
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"structure_string": "Gd2 Al6 Si4 Pt1\n1.0\n17.053756 -2.080734 0.000000\n17.053756 2.080734 0.000000\n16.799885 0.000000 3.594984\nGd Al Si Pt\n2 6 4 1\ndirect\n0.433625 0.433625 0.433625 Gd\n0.566375 0.566375 0.566375 Gd\n0.681626 0.681626 0.681626 Al\n0.950353 0.950353 0.950353 Al\n0.049647 0.049647 0.049647 Al\n0.318374 0.318374 0.318374 Al\n0.185132 0.185132 0.185132 Al\n0.814868 0.814868 0.814868 Al\n0.135240 0.135240 0.135240 Si\n0.733479 0.733479 0.733479 Si\n0.864760 0.864760 0.864760 Si\n0.266521 0.266521 0.266521 Si\n0.000000 0.000000 0.000000 Pt\n",
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{
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{
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{
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{
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.50803853,
"band_gap": 0.0331000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.131000Z",
"spacegroup": 139
}
]
}