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{
"id": "mp-1104967",
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{
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{
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"structure_string": "Y3 Ga8 Rh3\n1.0\n-2.111627 4.927910 6.176140\n2.111627 -4.927910 6.176140\n2.111627 4.927910 -6.176140\nY Ga Rh\n3 8 3\ndirect\n0.500000 0.500000 0.000000 Y\n0.173360 0.173360 0.000000 Y\n0.826640 0.826640 0.000000 Y\n0.092767 0.376935 0.715833 Ga\n0.907233 0.623065 0.284167 Ga\n0.661102 0.376935 0.284167 Ga\n0.338898 0.623065 0.715833 Ga\n0.797467 0.167357 0.630110 Ga\n0.202533 0.832643 0.369890 Ga\n0.537246 0.167357 0.369890 Ga\n0.462754 0.832643 0.630110 Ga\n0.000000 0.500000 0.500000 Rh\n0.780486 0.000000 0.780486 Rh\n0.219514 0.000000 0.219514 Rh\n",
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{
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"created_at": "2022-09-04T14:39:10.351718Z",
"structure_string": "Lu2 Ni8 As4\n1.0\n0.000000 0.000000 3.765073\n7.190292 0.000000 0.000000\n0.000000 7.190292 0.000000\nLu Ni As\n2 8 4\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.154210 0.589566 Ni\n0.500000 0.845790 0.410434 Ni\n0.000000 0.345790 0.089566 Ni\n0.000000 0.654210 0.910434 Ni\n0.500000 0.589566 0.154210 Ni\n0.500000 0.410434 0.845790 Ni\n0.000000 0.089566 0.345790 Ni\n0.000000 0.910434 0.654210 Ni\n0.500000 0.716945 0.716945 As\n0.500000 0.283055 0.283055 As\n0.000000 0.783055 0.216945 As\n0.000000 0.216945 0.783055 As\n",
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{
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"created_at": "2022-09-04T14:40:43.909509Z",
"structure_string": "Er1 Fe6 Ge6\n1.0\n5.114135 0.000000 0.000000\n-2.557067 4.428971 0.000000\n0.000000 0.000000 8.120075\nEr Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.749794 Fe\n0.500000 0.000000 0.749794 Fe\n0.000000 0.500000 0.749794 Fe\n0.500000 0.500000 0.250206 Fe\n0.500000 0.000000 0.250206 Fe\n0.000000 0.500000 0.250206 Fe\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n0.000000 0.000000 0.653842 Ge\n0.000000 0.000000 0.346158 Ge\n",
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"density": 8.470228192186374,
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{
"id": "mp-1104962",
"created_at": "2022-09-04T14:42:57.556771Z",
"structure_string": "Eu4 Cd4 As6\n1.0\n2.235627 8.167008 0.000000\n-2.235627 8.167008 0.000000\n0.000000 7.322901 9.930321\nEu Cd As\n4 4 6\ndirect\n0.269260 0.269260 0.329009 Eu\n0.730740 0.730740 0.670991 Eu\n0.394183 0.394183 0.952371 Eu\n0.605817 0.605817 0.047629 Eu\n0.046504 0.046504 0.685121 Cd\n0.953496 0.953496 0.314879 Cd\n0.408079 0.408079 0.658360 Cd\n0.591921 0.591921 0.341640 Cd\n0.082455 0.082455 0.879902 As\n0.917545 0.917545 0.120098 As\n0.162404 0.162404 0.181002 As\n0.837596 0.837596 0.818998 As\n0.371186 0.371186 0.472315 As\n0.628814 0.628814 0.527685 As\n",
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{
"id": "mp-1104961",
"created_at": "2022-09-04T14:41:27.131593Z",
"structure_string": "Bi8 Pt5 I3\n1.0\n2.004431 9.314496 0.000000\n-2.004431 9.314496 0.000000\n0.000000 5.283392 12.627483\nBi Pt I\n8 5 3\ndirect\n0.896033 0.896033 0.478768 Bi\n0.103967 0.103967 0.521232 Bi\n0.325273 0.325273 0.728346 Bi\n0.674727 0.674727 0.271654 Bi\n0.483106 0.483106 0.781893 Bi\n0.516894 0.516894 0.218107 Bi\n0.682492 0.682492 0.973215 Bi\n0.317508 0.317508 0.026785 Bi\n0.500000 0.500000 0.500000 Pt\n0.946735 0.946735 0.657913 Pt\n0.053265 0.053265 0.342087 Pt\n0.847601 0.847601 0.871972 Pt\n0.152399 0.152399 0.128028 Pt\n0.000000 0.000000 0.000000 I\n0.684261 0.684261 0.673118 I\n0.315739 0.315739 0.326882 I\n",
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{
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"structure_string": "Sc3 Cu4 Si4\n1.0\n-1.980928 3.212628 6.560610\n1.980928 -3.212628 6.560610\n1.980928 3.212628 -6.560610\nSc Cu Si\n3 4 4\ndirect\n0.373388 0.873388 0.500000 Sc\n0.626612 0.126612 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.636545 0.329846 0.306699 Cu\n0.363455 0.670154 0.693301 Cu\n0.023148 0.329846 0.693301 Cu\n0.976852 0.670154 0.306699 Cu\n0.216754 0.216754 0.000000 Si\n0.783246 0.783246 0.000000 Si\n0.686127 0.500000 0.186127 Si\n0.313873 0.500000 0.813873 Si\n",
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"structure_string": "Er1 Ga6 Fe6\n1.0\n-5.026103 0.000000 0.000000\n-2.513051 -4.244581 4.326975\n-2.513051 4.244581 4.326975\nEr Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.666481 0.333519 Ga\n0.000000 0.333519 0.666481 Ga\n0.343158 0.656842 0.656842 Ga\n0.656842 0.343158 0.343158 Ga\n0.320396 0.179604 0.179604 Ga\n0.679604 0.820396 0.820396 Ga\n0.500000 0.243785 0.756215 Fe\n0.500000 0.756215 0.243785 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
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{
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"structure_string": "Ho1 Al8 Cu4\n1.0\n-4.393181 4.393181 2.550624\n4.393181 -4.393181 2.550624\n4.393181 4.393181 -2.550624\nHo Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.347766 0.347766 Al\n0.000000 0.652234 0.652234 Al\n0.652234 0.000000 0.652234 Al\n0.347766 0.000000 0.347766 Al\n0.500000 0.282857 0.782857 Al\n0.500000 0.717143 0.217143 Al\n0.717143 0.500000 0.217143 Al\n0.282857 0.500000 0.782857 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
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"formula_reduced": "Ho(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy": -54.8794012,
"energy_per_atom": -4.2214924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.8794012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0163656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.865000Z",
"spacegroup": 139
}
]
}