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"structure_string": "Tm8 Cl16\n1.0\n6.179234 0.000000 0.000000\n0.000000 7.121829 0.000000\n0.000000 0.000000 12.106685\nTm Cl\n8 16\ndirect\n0.319095 0.047166 0.402243 Tm\n0.819095 0.952834 0.097757 Tm\n0.180905 0.547167 0.597757 Tm\n0.680904 0.452834 0.902243 Tm\n0.680904 0.952834 0.597757 Tm\n0.180905 0.047166 0.902243 Tm\n0.819095 0.452834 0.402243 Tm\n0.319095 0.547167 0.097757 Tm\n0.302834 0.877254 0.706432 Cl\n0.802834 0.122746 0.793568 Cl\n0.802834 0.622746 0.706432 Cl\n0.302834 0.377254 0.793568 Cl\n0.697166 0.122746 0.293568 Cl\n0.197166 0.877254 0.206432 Cl\n0.020768 0.704382 0.954553 Cl\n0.979232 0.295618 0.045446 Cl\n0.479232 0.204382 0.045446 Cl\n0.979232 0.795618 0.454553 Cl\n0.697166 0.622746 0.206432 Cl\n0.479232 0.704382 0.454553 Cl\n0.520767 0.795618 0.954553 Cl\n0.020768 0.204382 0.545446 Cl\n0.520767 0.295618 0.545446 Cl\n0.197166 0.377254 0.293568 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Tm",
"Cl"
],
"chemical_system": "Cl-Tm",
"density": 5.980116627980625,
"density_atomic": 0.04504637163304839,
"volume": 532.7843093669354,
"volume_molar": 13.3687587738628,
"formula_full": "Tm8 Cl16",
"formula_reduced": "TmCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 61
},
{
"id": "jvasp-5221",
"created_at": "2022-09-04T14:37:06.874627Z",
"updated_at": "2022-09-04T14:37:06.874646Z",
"structure_string": "W3 Cl18\n1.0\n5.229574 -9.057889 0.000000\n5.229574 9.057889 -0.000000\n-0.000000 0.000000 5.622163\nW Cl\n3 18\ndirect\n0.666667 0.333333 0.511025 W\n0.333333 0.666667 0.488974 W\n0.000000 0.000000 0.000000 W\n0.770620 0.229379 0.273820 Cl\n0.562694 0.437305 0.748178 Cl\n0.562695 0.125389 0.748178 Cl\n0.874610 0.437305 0.748178 Cl\n0.125389 0.562695 0.251822 Cl\n0.437305 0.874610 0.251822 Cl\n0.437305 0.562694 0.251822 Cl\n0.895992 0.104007 0.763154 Cl\n0.895992 0.791983 0.763154 Cl\n0.208016 0.104007 0.763154 Cl\n0.791983 0.895992 0.236846 Cl\n0.104007 0.208016 0.236846 Cl\n0.104007 0.895992 0.236846 Cl\n0.541241 0.770620 0.726179 Cl\n0.229379 0.458758 0.726179 Cl\n0.229379 0.770620 0.726179 Cl\n0.770620 0.541241 0.273820 Cl\n0.458758 0.229379 0.273820 Cl\n",
"nsites": 21,
"nelements": 2,
"elements": [
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"Cl"
],
"chemical_system": "Cl-W",
"density": 3.7089444799778244,
"density_atomic": 0.039426893458256194,
"volume": 532.6313629612756,
"volume_molar": 15.274195433064058,
"formula_full": "W3 Cl18",
"formula_reduced": "WCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 1.2584634864285713,
"spacegroup": 164
}
]
}