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"structure_string": "Zn24 Au40\n1.0\n-2.821993 5.623652 16.975133\n2.821993 -5.623652 16.975133\n2.821993 5.623652 -16.975133\nZn Au\n24 40\ndirect\n0.328968 0.400209 0.353906 Zn\n0.671032 0.599791 0.646094 Zn\n0.046303 0.975062 0.646094 Zn\n0.453697 0.099791 0.928759 Zn\n0.953697 0.024938 0.353906 Zn\n0.546303 0.900209 0.071241 Zn\n0.171032 0.524938 0.071241 Zn\n0.828968 0.475062 0.928759 Zn\n0.422651 0.351529 0.646920 Zn\n0.577349 0.648471 0.353080 Zn\n0.704609 0.775731 0.353080 Zn\n0.795391 0.148471 0.071122 Zn\n0.295391 0.224269 0.646920 Zn\n0.204609 0.851529 0.928878 Zn\n0.077349 0.724269 0.928878 Zn\n0.922651 0.275731 0.071122 Zn\n0.624607 0.124607 0.500000 Zn\n0.375393 0.875393 0.500000 Zn\n0.875393 0.375393 0.500000 Zn\n0.124607 0.624607 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.383077 0.125296 0.258441 Au\n0.616923 0.874704 0.741559 Au\n0.866855 0.124636 0.741559 Au\n0.633145 0.374704 0.257781 Au\n0.133145 0.875364 0.258441 Au\n0.366855 0.625296 0.742219 Au\n0.116923 0.375364 0.742219 Au\n0.883077 0.624636 0.257781 Au\n0.164769 0.350764 0.392935 Au\n0.835231 0.649236 0.607065 Au\n0.957829 0.771834 0.607065 Au\n0.542171 0.149236 0.814005 Au\n0.042171 0.228166 0.392935 Au\n0.457829 0.850764 0.185995 Au\n0.335231 0.728166 0.185995 Au\n0.664769 0.271834 0.814005 Au\n0.415168 0.598496 0.388238 Au\n0.584832 0.401504 0.611762 Au\n0.210258 0.026930 0.611762 Au\n0.289742 0.901504 0.816672 Au\n0.789742 0.973070 0.388238 Au\n0.710258 0.098496 0.183328 Au\n0.084832 0.473070 0.183328 Au\n0.915168 0.526930 0.816672 Au\n0.256968 0.038590 0.295558 Au\n0.743032 0.961410 0.704442 Au\n0.756968 0.461410 0.218378 Au\n0.243032 0.538590 0.781622 Au\n0.124829 0.124829 0.000000 Au\n0.875171 0.875171 0.000000 Au\n0.375171 0.375171 0.000000 Au\n0.624829 0.624829 0.000000 Au\n0.507768 0.250000 0.257768 Au\n0.492232 0.750000 0.742232 Au\n0.992232 0.250000 0.742232 Au\n0.007768 0.750000 0.257768 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.250000 0.250000 0.000000 Au\n0.750000 0.750000 0.000000 Au\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Au-Zn",
"density": 14.560069278413993,
"density_atomic": 0.059392612200958865,
"volume": 1077.5750994661041,
"volume_molar": 10.139545200712313,
"formula_full": "Zn24 Au40",
"formula_reduced": "Zn3Au5",
"formula_anonymous": "A3B5",
"energy": -172.46763663,
"energy_per_atom": -2.69480682234375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.46763663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0263424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.059000Z",
"spacegroup": 72
},
{
"id": "mp-1189715",
"created_at": "2022-09-04T14:40:34.994247Z",
"structure_string": "Er10 Ir6\n1.0\n0.000000 0.000000 -6.155358\n-4.137345 -7.166091 0.000000\n-4.136218 7.165441 0.000000\nEr Ir\n10 6\ndirect\n0.499997 0.333398 0.666817 Er\n0.499997 0.666581 0.333183 Er\n0.999997 0.666602 0.333183 Er\n0.999997 0.333419 0.666817 Er\n0.750031 0.261823 0.000000 Er\n0.749986 0.738172 0.738127 Er\n0.749986 0.000045 0.261873 Er\n0.250031 0.738177 0.000000 Er\n0.249986 0.261828 0.261873 Er\n0.249986 0.999955 0.738127 Er\n0.750005 0.611165 0.000000 Ir\n0.749999 0.388933 0.388943 Ir\n0.749999 0.999991 0.611057 Ir\n0.250005 0.388835 0.000000 Ir\n0.249999 0.611067 0.611057 Ir\n0.249999 0.000009 0.388943 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Ir"
],
"chemical_system": "Er-Ir",
"density": 12.858672724982226,
"density_atomic": 0.04384413114917412,
"volume": 364.9291154969412,
"volume_molar": 13.735340630905485,
"formula_full": "Er10 Ir6",
"formula_reduced": "Er5Ir3",
"formula_anonymous": "A3B5",
"energy": -111.88831947,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.88831947,
"band_gap": 0.0,
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"total_magnetization": 0.0114328,
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"updated_at": "2021-11-28T01:35:00.390000Z",
"spacegroup": 193
}
]
}