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"total_magnetization": 0.6474877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.938000Z",
"spacegroup": 38
},
{
"id": "mp-1245165",
"created_at": "2022-09-04T14:41:45.808716Z",
"structure_string": "Ga50 N50\n1.0\n11.082187 0.017022 0.235993\n0.015405 11.436848 -0.058165\n0.241303 -0.057368 11.636566\nGa N\n50 50\ndirect\n0.130588 0.596650 0.558314 Ga\n0.325615 0.432659 0.408757 Ga\n0.953846 0.591916 0.827683 Ga\n0.927346 0.724300 0.657840 Ga\n0.368687 0.214870 0.261762 Ga\n0.485359 0.631385 0.756658 Ga\n0.633795 0.799854 0.630181 Ga\n0.158918 0.778811 0.191996 Ga\n0.363093 0.499226 0.154935 Ga\n0.917887 0.895015 0.164708 Ga\n0.196647 0.808453 0.813070 Ga\n0.189472 0.983942 0.035128 Ga\n0.726178 0.527408 0.689334 Ga\n0.795833 0.260779 0.892731 Ga\n0.067978 0.200908 0.391331 Ga\n0.434273 0.868606 0.901168 Ga\n0.727632 0.193490 0.456932 Ga\n0.661923 0.524007 0.973252 Ga\n0.795554 0.598565 0.207701 Ga\n0.895307 0.036152 0.585695 Ga\n0.939917 0.009765 0.341074 Ga\n0.513775 0.670972 0.141324 Ga\n0.837153 0.343238 0.333147 Ga\n0.587204 0.422942 0.289331 Ga\n0.320958 0.386618 0.615906 Ga\n0.578822 0.053737 0.363224 Ga\n0.114878 0.167217 0.150749 Ga\n0.061822 0.452014 0.298561 Ga\n0.263371 0.673866 0.345464 Ga\n0.687326 0.935923 0.994955 Ga\n0.976213 0.377540 0.059235 Ga\n0.463350 0.587855 0.511473 Ga\n0.117291 0.296143 0.703551 Ga\n0.957590 0.393399 0.577817 Ga\n0.448960 0.928916 0.144203 Ga\n0.978430 0.069691 0.938367 Ga\n0.828212 0.980889 0.786258 Ga\n0.748897 0.750132 0.873818 Ga\n0.345546 0.809072 0.627441 Ga\n0.947383 0.765805 0.378425 Ga\n0.818896 0.146502 0.150778 Ga\n0.692944 0.851077 0.266571 Ga\n0.141287 0.062534 0.779076 Ga\n0.249413 0.531909 0.813778 Ga\n0.273129 0.994660 0.315627 Ga\n0.115592 0.611642 0.036827 Ga\n0.126823 0.910293 0.475908 Ga\n0.431607 0.814982 0.400070 Ga\n0.762659 0.601259 0.456976 Ga\n0.964316 0.776073 0.956915 Ga\n0.350628 0.111092 0.552818 N\n0.695885 0.349935 0.662535 N\n0.553497 0.270006 0.496268 N\n0.030403 0.062039 0.476921 N\n0.181266 0.533681 0.385756 N\n0.269074 0.942991 0.887701 N\n0.899844 0.462359 0.219493 N\n0.165495 0.663031 0.881202 N\n0.703885 0.902799 0.438459 N\n0.464576 0.613207 0.924701 N\n0.862331 0.540937 0.580987 N\n0.778756 0.821577 0.715961 N\n0.016561 0.445127 0.891061 N\n0.701390 0.366890 0.021695 N\n0.300572 0.209809 0.868454 N\n0.119665 0.410110 0.835267 N\n0.455923 0.185908 0.058330 N\n0.602387 0.058613 0.658360 N\n0.995009 0.348393 0.418174 N\n0.674528 0.623110 0.101440 N\n0.131311 0.385049 0.148998 N\n0.205072 0.472442 0.100564 N\n0.517974 0.310550 0.835331 N\n0.842677 0.758644 0.242078 N\n0.035750 0.867834 0.625998 N\n0.268513 0.909267 0.162475 N\n0.618458 0.627220 0.587980 N\n0.525730 0.809541 0.244914 N\n0.089744 0.899141 0.719958 N\n0.690293 0.261381 0.192537 N\n0.588051 0.090619 0.749337 N\n0.016676 0.920208 0.027211 N\n0.804744 0.955576 0.455781 N\n0.957920 0.157780 0.250926 N\n0.442595 0.062253 0.264903 N\n0.210377 0.159047 0.297405 N\n0.449405 0.709644 0.982883 N\n0.663391 0.348720 0.127140 N\n0.767739 0.304784 0.596416 N\n0.910420 0.209798 0.016987 N\n0.756775 0.978920 0.148610 N\n0.322615 0.055122 0.628782 N\n0.516942 0.313923 0.580500 N\n0.263295 0.264674 0.942924 N\n0.408559 0.373579 0.265952 N\n0.359449 0.551763 0.672211 N\n0.485231 0.804907 0.737322 N\n0.543039 0.163628 0.012189 N\n0.488411 0.404411 0.835444 N\n0.755619 0.578333 0.842491 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.71569513042695,
"density_atomic": 0.06783394629741082,
"volume": 1474.188152957525,
"volume_molar": 8.877768563834627,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -562.00734453,
"energy_per_atom": -5.620073445299999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -543.95734453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.968000Z",
"spacegroup": 1
}
]
}