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{
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{
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{
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{
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{
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"structure_string": "Yb10 Pb6\n1.0\n4.728667 -8.190291 0.000000\n4.728667 8.190291 0.000000\n0.000000 0.000000 6.830110\nYb Pb\n10 6\ndirect\n0.000000 0.732540 0.750000 Yb\n0.732540 0.732540 0.250000 Yb\n0.267460 0.267460 0.750000 Yb\n0.732540 0.000000 0.750000 Yb\n0.333333 0.666667 0.500000 Yb\n0.267460 0.000000 0.250000 Yb\n0.000000 0.267460 0.250000 Yb\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.000000 Yb\n0.389077 0.389077 0.250000 Pb\n0.000000 0.389077 0.750000 Pb\n0.610923 0.610923 0.750000 Pb\n0.000000 0.610923 0.250000 Pb\n0.610923 0.000000 0.250000 Pb\n0.389077 0.000000 0.750000 Pb\n",
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{
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"structure_string": "Eu6 Sn10\n1.0\n4.259833 -5.169796 0.000000\n4.259833 5.169796 0.000000\n0.000000 0.000000 10.707410\nEu Sn\n6 10\ndirect\n0.797377 0.202623 0.000000 Eu\n0.202623 0.797377 0.000000 Eu\n0.202623 0.797377 0.500000 Eu\n0.797377 0.202623 0.500000 Eu\n0.627764 0.627764 0.250000 Eu\n0.372236 0.372236 0.750000 Eu\n0.074610 0.496275 0.250000 Sn\n0.925391 0.503725 0.750000 Sn\n0.496275 0.074609 0.250000 Sn\n0.503725 0.925391 0.750000 Sn\n0.027498 0.027498 0.250000 Sn\n0.972502 0.972502 0.750000 Sn\n0.308845 0.308845 0.050331 Sn\n0.691155 0.691155 0.949669 Sn\n0.691155 0.691155 0.550331 Sn\n0.308845 0.308845 0.449669 Sn\n",
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{
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"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": [
"Er",
"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,
"energy_per_atom": -6.993019966875,
"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,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.390000Z",
"spacegroup": 193
}
]
}