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{
"id": "mp-1201298",
"created_at": "2022-09-04T14:39:26.440747Z",
"structure_string": "Ho22 In12 Ge8\n1.0\n-5.740254 5.740254 8.110663\n5.740254 -5.740254 8.110663\n5.740254 5.740254 -8.110663\nHo In Ge\n22 12 8\ndirect\n0.685252 0.935352 0.250100 Ho\n0.685252 0.435152 0.749900 Ho\n0.935352 0.685252 0.250100 Ho\n0.435152 0.685252 0.749900 Ho\n0.314748 0.064648 0.749900 Ho\n0.314748 0.564848 0.250100 Ho\n0.064648 0.314748 0.749900 Ho\n0.564848 0.314748 0.250100 Ho\n0.898406 0.243385 0.344978 Ho\n0.898406 0.553428 0.655022 Ho\n0.243385 0.898406 0.344978 Ho\n0.553428 0.898406 0.655022 Ho\n0.101594 0.756615 0.655022 Ho\n0.101594 0.446572 0.344978 Ho\n0.756615 0.101594 0.655022 Ho\n0.446572 0.101594 0.344978 Ho\n0.329991 0.329991 0.659982 Ho\n0.670009 0.670009 0.340018 Ho\n0.329991 0.670009 0.000000 Ho\n0.670009 0.329991 0.000000 Ho\n0.832068 0.832068 0.000000 Ho\n0.167932 0.167932 0.000000 Ho\n0.033774 0.033774 0.410783 In\n0.622991 0.622991 0.589217 In\n0.033774 0.622991 0.000000 In\n0.622991 0.033774 0.000000 In\n0.966226 0.966226 0.589217 In\n0.377009 0.377009 0.410783 In\n0.966226 0.377009 0.000000 In\n0.377009 0.966226 0.000000 In\n0.128764 0.128764 0.257527 In\n0.871236 0.871236 0.742473 In\n0.128764 0.871236 0.000000 In\n0.871236 0.128764 0.000000 In\n0.152403 0.500000 0.652403 Ge\n0.847597 0.500000 0.347597 Ge\n0.500000 0.847597 0.347597 Ge\n0.500000 0.152403 0.652403 Ge\n0.615249 0.615249 0.000000 Ge\n0.384751 0.384751 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n",
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{
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{
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{
"id": "mp-1178409",
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"structure_string": "Cs16 Mg8 O16\n1.0\n6.783987 0.000000 0.000000\n0.000000 10.069127 0.000000\n0.000000 7.560556 14.904628\nCs Mg O\n16 8 16\ndirect\n0.335222 0.852057 0.972562 Cs\n0.865901 0.924884 0.836495 Cs\n0.085932 0.679438 0.741412 Cs\n0.570429 0.571982 0.878104 Cs\n0.164778 0.852057 0.472562 Cs\n0.634099 0.924884 0.336495 Cs\n0.070429 0.428018 0.621896 Cs\n0.585932 0.320562 0.758588 Cs\n0.414068 0.679438 0.241412 Cs\n0.929571 0.571982 0.378104 Cs\n0.365901 0.075116 0.663505 Cs\n0.835222 0.147943 0.527438 Cs\n0.429571 0.428018 0.121896 Cs\n0.914068 0.320562 0.258588 Cs\n0.134099 0.075116 0.163505 Cs\n0.664778 0.147943 0.027438 Cs\n0.628813 0.753638 0.625838 Mg\n0.050381 0.413329 0.960140 Mg\n0.550381 0.586671 0.539860 Mg\n0.128813 0.246362 0.874162 Mg\n0.871187 0.753638 0.125838 Mg\n0.449619 0.413329 0.460140 Mg\n0.949619 0.586671 0.039860 Mg\n0.371187 0.246362 0.374162 Mg\n0.690464 0.856886 0.693869 O\n0.118869 0.624713 0.932763 O\n0.767096 0.733715 0.528537 O\n0.411914 0.616635 0.639611 O\n0.911914 0.383365 0.860389 O\n0.267096 0.266285 0.971463 O\n0.809536 0.856886 0.193869 O\n0.381131 0.624713 0.432763 O\n0.618869 0.375287 0.567237 O\n0.190464 0.143114 0.806131 O\n0.732904 0.733715 0.028537 O\n0.088086 0.616635 0.139611 O\n0.588086 0.383365 0.360389 O\n0.232904 0.266285 0.471463 O\n0.881131 0.375287 0.067237 O\n0.309536 0.143114 0.306131 O\n",
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"formula_full": "Cs16 Mg8 O16",
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{
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"structure_string": "Eu2 Pd1 Au1\n1.0\n0.000000 3.706157 3.706157\n3.706157 0.000000 3.706157\n3.706157 3.706157 0.000000\nEu Pd Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n",
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{
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"structure_string": "Tb4 Fe1 Sn8\n1.0\n4.430160 0.000000 0.000000\n0.000000 4.468042 0.000000\n0.000000 0.000000 16.717241\nTb Fe Sn\n4 1 8\ndirect\n0.000000 0.000000 0.096015 Tb\n0.000000 0.500000 0.603197 Tb\n0.500000 0.500000 0.394625 Tb\n0.500000 0.000000 0.900379 Tb\n0.000000 0.000000 0.306354 Fe\n0.000000 0.000000 0.455510 Sn\n0.000000 0.500000 0.935583 Sn\n0.500000 0.500000 0.061394 Sn\n0.500000 0.000000 0.574293 Sn\n0.000000 0.500000 0.236038 Sn\n0.000000 0.000000 0.750372 Sn\n0.500000 0.000000 0.236337 Sn\n0.500000 0.500000 0.752904 Sn\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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"id": "mp-1206585",
"created_at": "2022-09-04T14:48:17.179443Z",
"structure_string": "Ce4 In2 Au4\n1.0\n8.091765 0.000000 0.000000\n0.000000 8.091765 0.000000\n0.000000 0.000000 3.887794\nCe In Au\n4 2 4\ndirect\n0.674616 0.174616 0.500000 Ce\n0.325384 0.825384 0.500000 Ce\n0.174616 0.325384 0.500000 Ce\n0.825384 0.674616 0.500000 Ce\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.127208 0.627208 0.000000 Au\n0.872792 0.372792 0.000000 Au\n0.627208 0.872792 0.000000 Au\n0.372792 0.127208 0.000000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"In",
"Au"
],
"chemical_system": "Au-Ce-In",
"density": 10.293357260564575,
"density_atomic": 0.03928350515490333,
"volume": 254.55976905746687,
"volume_molar": 15.32994761097158,
"formula_full": "Ce4 In2 Au4",
"formula_reduced": "Ce2InAu2",
"formula_anonymous": "AB2C2",
"energy": -49.03734972000001,
"energy_per_atom": -4.9037349720000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.03734972000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1080761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.131000Z",
"spacegroup": 127
}
]
}