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{
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{
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{
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"structure_string": "Dy1 Th2\n1.0\n1.781426 -3.085521 0.000000\n1.781426 3.085521 0.000000\n0.000000 0.000000 8.729657\nDy Th\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.662951 Th\n0.666667 0.333333 0.337049 Th\n",
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{
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{
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"structure_string": "Tb2 Cu2 Ge2\n1.0\n2.134014 -3.696221 0.000000\n2.134014 3.696221 0.000000\n0.000000 0.000000 7.311934\nTb Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.752049 Tb\n0.000000 0.000000 0.252049 Tb\n0.666667 0.333333 0.529567 Cu\n0.333333 0.666667 0.029567 Cu\n0.333333 0.666667 0.478883 Ge\n0.666667 0.333333 0.978883 Ge\n",
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{
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"structure_string": "Rb10 Co4 O8\n1.0\n7.061377 0.000000 0.000000\n-2.949610 -8.844277 0.000000\n0.056163 4.803350 -8.456350\nRb Co O\n10 4 8\ndirect\n0.096690 0.388196 0.221681 Rb\n0.903310 0.611804 0.778319 Rb\n0.097787 0.993334 0.222245 Rb\n0.902213 0.006666 0.777755 Rb\n0.270097 0.098140 0.975642 Rb\n0.729903 0.901860 0.024358 Rb\n0.618853 0.629375 0.363396 Rb\n0.381147 0.370625 0.636604 Rb\n0.378252 0.933957 0.615993 Rb\n0.621748 0.066043 0.384007 Rb\n0.400016 0.634685 0.973949 Co\n0.599984 0.365315 0.026051 Co\n0.015395 0.636433 0.577486 Co\n0.984605 0.363567 0.422514 Co\n0.310816 0.823052 0.954690 O\n0.689184 0.176948 0.045310 O\n0.770946 0.165889 0.520901 O\n0.229054 0.834111 0.479099 O\n0.682489 0.546311 0.047373 O\n0.317511 0.453689 0.952627 O\n0.189211 0.573717 0.314455 O\n0.810789 0.426283 0.685545 O\n",
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"id": "mp-1188090",
"created_at": "2022-09-04T14:41:17.701635Z",
"structure_string": "Eu10 Sn6 H2\n1.0\n-4.197136 4.197136 7.616580\n4.197136 -4.197136 7.616580\n4.197136 4.197136 -7.616580\nEu Sn H\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.513575 0.013575 0.829647 Eu\n0.183928 0.683928 0.170353 Eu\n0.013575 0.183928 0.500000 Eu\n0.683928 0.513575 0.500000 Eu\n0.486425 0.986425 0.170353 Eu\n0.816072 0.316072 0.829647 Eu\n0.986425 0.816072 0.500000 Eu\n0.316072 0.486425 0.500000 Eu\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n0.875884 0.375884 0.251768 Sn\n0.124116 0.624116 0.748232 Sn\n0.375884 0.124116 0.500000 Sn\n0.624116 0.875884 0.500000 Sn\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Eu",
"Sn",
"H"
],
"chemical_system": "Eu-H-Sn",
"density": 6.9117787817596925,
"density_atomic": 0.03353871522334154,
"volume": 536.693188159836,
"volume_molar": 17.95578846684277,
"formula_full": "Eu10 Sn6 H2",
"formula_reduced": "Eu5Sn3H",
"formula_anonymous": "AB3C5",
"energy": -145.7888332,
"energy_per_atom": -8.099379622222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.4308332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.994807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.804000Z",
"spacegroup": 140
}
]
}