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"structure_string": "Rb8 Sn16 Se32\n1.0\n7.724463 0.000000 0.019767\n0.000000 19.951547 0.000000\n-1.160530 0.000000 12.661497\nRb Se Sn\n8 32 16\ndirect\n0.741632 0.942008 0.078789 Rb\n0.671445 0.299966 0.082342 Rb\n0.828555 0.799967 0.417658 Rb\n0.758370 0.442007 0.421212 Rb\n0.241631 0.557992 0.578789 Rb\n0.171444 0.200034 0.582342 Rb\n0.328555 0.700033 0.917658 Rb\n0.258369 0.057992 0.921211 Rb\n0.126738 0.558733 0.083870 Se\n0.207579 0.349153 0.093215 Se\n0.245997 0.940131 0.134669 Se\n0.068599 0.748853 0.134799 Se\n0.611443 0.122071 0.139807 Se\n0.073020 0.135297 0.147017 Se\n0.638753 0.478028 0.159093 Se\n0.619087 0.783116 0.160112 Se\n0.880914 0.283115 0.339888 Se\n0.861249 0.978028 0.340907 Se\n0.426981 0.635298 0.352982 Se\n0.888557 0.622071 0.360193 Se\n0.431402 0.248853 0.365201 Se\n0.254002 0.440130 0.365332 Se\n0.292420 0.849153 0.406785 Se\n0.373262 0.058732 0.416130 Se\n0.626737 0.941268 0.583869 Se\n0.707580 0.150847 0.593215 Se\n0.745998 0.559870 0.634669 Se\n0.568598 0.751147 0.634799 Se\n0.111443 0.377929 0.639807 Se\n0.573019 0.364703 0.647017 Se\n0.138752 0.021972 0.659092 Se\n0.119086 0.716884 0.660111 Se\n0.380914 0.216884 0.839888 Se\n0.361248 0.521973 0.840908 Se\n0.926982 0.864702 0.852982 Se\n0.388558 0.877929 0.860193 Se\n0.931401 0.251147 0.865201 Se\n0.754002 0.059870 0.865331 Se\n0.792422 0.650847 0.906785 Se\n0.873262 0.441268 0.916131 Se\n0.319335 0.464127 0.170559 Sn\n0.639253 0.623787 0.189997 Sn\n0.331501 0.820950 0.209017 Sn\n0.136801 0.639479 0.243368 Sn\n0.363201 0.139478 0.256632 Sn\n0.168499 0.320951 0.290983 Sn\n0.860746 0.123787 0.310003 Sn\n0.180666 0.964127 0.329441 Sn\n0.819334 0.035873 0.670559 Sn\n0.139254 0.876213 0.689997 Sn\n0.831501 0.679050 0.709017 Sn\n0.636800 0.860522 0.743368 Sn\n0.863200 0.360521 0.756632 Sn\n0.668500 0.179049 0.790984 Sn\n0.360746 0.376213 0.810003 Sn\n0.680666 0.535873 0.829441 Sn\n",
"nsites": 56,
"nelements": 3,
"elements": [
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],
"chemical_system": "Rb-Se-Sn",
"density": 4.347335125784258,
"density_atomic": 0.028691697538746105,
"volume": 1951.7841328271347,
"volume_molar": 20.98914068039204,
"formula_full": "Rb8 Sn16 Se32",
"formula_reduced": "Rb(SnSe2)2",
"formula_anonymous": "AB2C4",
"formation_energy": -0.6414673024932,
"spacegroup": 14
},
{
"id": "oqmd-1338652",
"created_at": "2022-09-04T15:45:55.894977Z",
"updated_at": "2022-09-04T15:45:55.895000Z",
"structure_string": "Ca48 Rh12\n1.0\n-7.868929 7.868929 7.868929\n7.868929 -7.868929 7.868929\n7.868929 7.868929 -7.868929\nCa Rh\n48 12\ndirect\n0.219652 0.127148 0.034621 Ca\n0.314970 0.907474 0.034621 Ca\n0.872853 0.407474 0.092504 Ca\n0.719652 0.685031 0.092504 Ca\n0.965379 0.685030 0.092526 Ca\n0.627148 0.407496 0.092527 Ca\n0.034621 0.219652 0.127148 Ca\n0.592526 0.907496 0.127148 Ca\n0.219651 0.592504 0.185030 Ca\n0.465379 0.592527 0.185031 Ca\n0.592504 0.185030 0.219651 Ca\n0.127148 0.034621 0.219652 Ca\n0.465378 0.372853 0.280348 Ca\n0.314969 0.907496 0.280348 Ca\n0.907496 0.280348 0.314969 Ca\n0.907474 0.034621 0.314970 Ca\n0.280348 0.465378 0.372853 Ca\n0.592504 0.907474 0.372853 Ca\n0.814969 0.534621 0.407474 Ca\n0.092504 0.872853 0.407474 Ca\n0.092527 0.627148 0.407496 Ca\n0.814970 0.780348 0.407496 Ca\n0.372853 0.280348 0.465378 Ca\n0.592527 0.185031 0.465379 Ca\n0.627148 0.719651 0.534621 Ca\n0.407474 0.814969 0.534621 Ca\n0.185030 0.219651 0.592504 Ca\n0.907474 0.372853 0.592504 Ca\n0.907496 0.127148 0.592526 Ca\n0.185031 0.465379 0.592527 Ca\n0.407496 0.092527 0.627148 Ca\n0.719651 0.534621 0.627148 Ca\n0.092526 0.965379 0.685030 Ca\n0.092504 0.719652 0.685031 Ca\n0.534621 0.627148 0.719651 Ca\n0.685031 0.092504 0.719652 Ca\n0.407496 0.814970 0.780348 Ca\n0.872853 0.965379 0.780348 Ca\n0.534621 0.407474 0.814969 Ca\n0.780348 0.407496 0.814970 Ca\n0.407474 0.092504 0.872853 Ca\n0.965379 0.780348 0.872853 Ca\n0.034621 0.314970 0.907474 Ca\n0.372853 0.592504 0.907474 Ca\n0.280348 0.314969 0.907496 Ca\n0.127148 0.592526 0.907496 Ca\n0.685030 0.092526 0.965379 Ca\n0.780348 0.872853 0.965379 Ca\n0.250000 0.375000 0.125000 Rh\n0.375000 0.750000 0.125000 Rh\n0.375000 0.125000 0.250000 Rh\n0.875000 0.625000 0.250000 Rh\n0.125000 0.250000 0.375000 Rh\n0.750000 0.125000 0.375000 Rh\n0.875000 0.750000 0.625000 Rh\n0.250000 0.875000 0.625000 Rh\n0.125000 0.375000 0.750000 Rh\n0.625000 0.875000 0.750000 Rh\n0.625000 0.250000 0.875000 Rh\n0.750000 0.625000 0.875000 Rh\n",
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"elements": [
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],
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"density": 2.6911520237272093,
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"formula_full": "Ca48 Rh12",
"formula_reduced": "Ca4Rh",
"formula_anonymous": "AB4",
"formation_energy": -0.209488911833334,
"spacegroup": 230
}
]
}