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{
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{
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"structure_string": "Ce2 Mn22 C3\n1.0\n0.010526 0.000000 6.525701\n-5.051636 4.943877 3.254333\n-5.062162 -4.943877 -3.271368\nCe Mn C\n2 22 3\ndirect\n0.382076 0.748696 0.248696 Ce\n0.617924 0.251304 0.751304 Ce\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.120071 0.248164 0.748164 Mn\n0.879929 0.751836 0.251836 Mn\n0.175137 0.177037 0.416512 Mn\n0.435663 0.916512 0.677037 Mn\n0.852375 0.824189 0.919287 Mn\n0.257276 0.419287 0.324189 Mn\n0.188253 0.574369 0.832081 Mn\n0.430541 0.332081 0.074369 Mn\n0.849189 0.089328 0.172545 Mn\n0.265972 0.672545 0.589328 Mn\n0.824863 0.822963 0.583488 Mn\n0.564337 0.083488 0.322963 Mn\n0.147625 0.175811 0.080713 Mn\n0.742724 0.580713 0.675811 Mn\n0.811747 0.425631 0.167919 Mn\n0.569459 0.667919 0.925631 Mn\n0.150811 0.910672 0.827455 Mn\n0.734028 0.327455 0.410672 Mn\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
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{
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"structure_string": "Eu2 Bi1 Sb1 O6\n1.0\n-0.000000 -4.275800 -4.275800\n4.275800 -0.000000 -4.275800\n4.275800 -4.275800 0.000000\nEu Bi Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n0.733607 0.266393 0.266393 O\n0.266393 0.733607 0.733607 O\n0.733607 0.266393 0.733607 O\n0.266393 0.733607 0.266393 O\n0.733607 0.733607 0.266393 O\n0.266393 0.266393 0.733607 O\n",
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{
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{
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{
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"id": "mp-1069357",
"created_at": "2022-09-04T14:43:16.833995Z",
"structure_string": "Eu1 Cu2 Sn2\n1.0\n2.157835 5.573991 0.000000\n-2.157835 5.573991 0.000000\n0.000000 1.553746 4.593722\nEu Cu Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.739033 0.739033 0.861180 Cu\n0.260967 0.260967 0.138820 Cu\n0.356527 0.356527 0.571080 Sn\n0.643473 0.643473 0.428920 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"Sn"
],
"chemical_system": "Cu-Eu-Sn",
"density": 7.761042139586162,
"density_atomic": 0.04524710560125845,
"volume": 110.50430593423275,
"volume_molar": 13.309449698441057,
"formula_full": "Eu1 Cu2 Sn2",
"formula_reduced": "Eu(CuSn)2",
"formula_anonymous": "AB2C2",
"energy": -28.3126739,
"energy_per_atom": -5.66253478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.3126739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9397246,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.285000Z",
"spacegroup": 12
}
]
}