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{
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{
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{
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{
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"created_at": "2022-09-04T14:48:21.525344Z",
"structure_string": "Tb12 Os5 C15\n1.0\n5.375163 -9.310055 0.000000\n5.375163 9.310055 0.000000\n0.000000 0.000000 5.115906\nTb Os C\n12 5 15\ndirect\n0.272415 0.455888 0.000000 Tb\n0.183473 0.727585 0.000000 Tb\n0.544112 0.816527 0.000000 Tb\n0.816527 0.544112 0.000000 Tb\n0.727585 0.183473 0.000000 Tb\n0.455888 0.272415 0.000000 Tb\n0.434311 0.000000 0.500000 Tb\n0.565689 0.565689 0.500000 Tb\n0.000000 0.434311 0.500000 Tb\n0.794008 0.000000 0.500000 Tb\n0.205992 0.205992 0.500000 Tb\n0.000000 0.794008 0.500000 Tb\n0.161061 0.000000 0.000000 Os\n0.838939 0.838939 0.000000 Os\n0.000000 0.161061 0.000000 Os\n0.333333 0.666667 0.500000 Os\n0.666667 0.333333 0.500000 Os\n0.282819 0.468367 0.500000 C\n0.185548 0.717181 0.500000 C\n0.531633 0.814452 0.500000 C\n0.814452 0.531633 0.500000 C\n0.717181 0.185548 0.500000 C\n0.468367 0.282819 0.500000 C\n0.335687 0.000000 0.000000 C\n0.664313 0.664313 0.000000 C\n0.000000 0.335687 0.000000 C\n0.460054 0.000000 0.000000 C\n0.539946 0.539946 0.000000 C\n0.000000 0.460054 0.000000 C\n0.792775 0.000000 0.000000 C\n0.207225 0.207225 0.000000 C\n0.000000 0.792775 0.000000 C\n",
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{
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -170.82269956,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.5882921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.559000Z",
"spacegroup": 8
},
{
"id": "mp-865999",
"created_at": "2022-09-04T14:48:22.145807Z",
"structure_string": "Yb1 Tl1 Pd2\n1.0\n0.000000 3.402311 3.402311\n3.402311 0.000000 3.402311\n3.402311 3.402311 0.000000\nYb Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Pd"
],
"chemical_system": "Pd-Tl-Yb",
"density": 12.443508691736413,
"density_atomic": 0.05078178563079671,
"volume": 78.76839993539322,
"volume_molar": 11.858859796272823,
"formula_full": "Yb1 Tl1 Pd2",
"formula_reduced": "YbTlPd2",
"formula_anonymous": "ABC2",
"energy": -16.76880733,
"energy_per_atom": -4.1922018325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.76880733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:31.223000Z",
"spacegroup": 225
},
{
"id": "mp-1026893",
"created_at": "2022-09-04T14:48:24.543562Z",
"structure_string": "Rb1 Mg14 Co1\n1.0\n6.544028 0.074052 0.000000\n-3.207883 5.556216 0.000000\n0.000000 0.000000 10.396056\nRb Mg Co\n1 14 1\ndirect\n0.117390 0.808694 0.125000 Rb\n0.165270 0.332634 0.625000 Mg\n0.174817 0.837408 0.625000 Mg\n0.616720 0.316802 0.125000 Mg\n0.665755 0.327171 0.625000 Mg\n0.616720 0.799917 0.125000 Mg\n0.665755 0.838583 0.625000 Mg\n0.342085 0.182258 0.379618 Mg\n0.342085 0.182258 0.870382 Mg\n0.342085 0.659828 0.379618 Mg\n0.342085 0.659828 0.870382 Mg\n0.859895 0.179948 0.345777 Mg\n0.859895 0.179948 0.904223 Mg\n0.826860 0.663430 0.397734 Mg\n0.826860 0.663430 0.852266 Mg\n0.235723 0.367861 0.125000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Rb",
"density": 2.115315298683282,
"density_atomic": 0.04205319193026403,
"volume": 380.47052472336657,
"volume_molar": 14.320294093219836,
"formula_full": "Rb1 Mg14 Co1",
"formula_reduced": "RbMg14Co",
"formula_anonymous": "ABC14",
"energy": -27.10510594,
"energy_per_atom": -1.69406912125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -27.10510594,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.0290652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.138000Z",
"spacegroup": 38
}
]
}