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{
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{
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{
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{
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"structure_string": "Mn1 Bi3\n1.0\n4.851888 0.000000 0.000000\n0.000000 4.851888 0.000000\n0.000000 0.000000 4.851888\nMn Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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{
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"structure_string": "Al8 Si8 Pb8 O36\n1.0\n6.971686 0.000000 0.000000\n0.000000 9.867202 0.000000\n0.000000 0.000000 10.845604\nAl Si Pb O\n8 8 8 36\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.250000 0.853576 Al\n0.000000 0.250000 0.353576 Al\n0.500000 0.750000 0.146424 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.750000 0.646424 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.716995 0.251315 0.588256 Si\n0.216995 0.248685 0.088256 Si\n0.283005 0.748685 0.411744 Si\n0.216995 0.748685 0.911744 Si\n0.716995 0.751315 0.411744 Si\n0.283005 0.248685 0.588256 Si\n0.783005 0.751315 0.911744 Si\n0.783005 0.251315 0.088256 Si\n0.049739 0.548970 0.196164 Pb\n0.049739 0.048970 0.803836 Pb\n0.450261 0.048970 0.303836 Pb\n0.549739 0.951030 0.696164 Pb\n0.950261 0.951030 0.196164 Pb\n0.549739 0.451030 0.303836 Pb\n0.950261 0.451030 0.803836 Pb\n0.450261 0.548970 0.696164 Pb\n0.692464 0.903716 0.894285 O\n0.390862 0.577846 0.140747 O\n0.307536 0.596284 0.894285 O\n0.609138 0.422154 0.859253 O\n0.500000 0.750000 0.477391 O\n0.890862 0.422154 0.359253 O\n0.347473 0.836837 0.007230 O\n0.307536 0.096284 0.105715 O\n0.684780 0.183822 0.725954 O\n0.184780 0.816178 0.774046 O\n0.347473 0.336837 0.992770 O\n0.152527 0.836837 0.507230 O\n0.109138 0.077846 0.359253 O\n0.847473 0.663163 0.507230 O\n0.684780 0.683822 0.274046 O\n0.315220 0.316178 0.725954 O\n0.192464 0.096284 0.605715 O\n0.315220 0.816178 0.274046 O\n0.184780 0.316178 0.225954 O\n0.390862 0.077846 0.859253 O\n0.000000 0.750000 0.977391 O\n0.890862 0.922154 0.640747 O\n0.847473 0.163163 0.492770 O\n0.109138 0.577846 0.640747 O\n0.807536 0.403716 0.605715 O\n0.152527 0.336837 0.492770 O\n0.609138 0.922154 0.140747 O\n0.192464 0.596284 0.394285 O\n0.692464 0.403716 0.105715 O\n0.815220 0.683822 0.774046 O\n0.807536 0.903716 0.394285 O\n0.652527 0.163163 0.992770 O\n0.652527 0.663163 0.007230 O\n0.000000 0.250000 0.022609 O\n0.815220 0.183822 0.225954 O\n0.500000 0.250000 0.522609 O\n",
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{
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"formula_full": "Cs2 K1 Y1 Cl6",
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"updated_at": "2021-11-28T01:34:47.028000Z",
"spacegroup": 225
},
{
"id": "mp-758118",
"created_at": "2022-09-04T14:40:07.040395Z",
"structure_string": "Li4 Ti3 V3 Sb2 O16\n1.0\n2.967574 5.150922 0.000000\n-2.967574 5.150922 0.000000\n0.000000 0.044698 10.492166\nLi Ti V Sb O\n4 3 3 2 16\ndirect\n0.669651 0.669651 0.901543 Li\n0.996118 0.996118 0.988927 Li\n0.002606 0.002606 0.498051 Li\n0.334926 0.334926 0.388654 Li\n0.339849 0.830383 0.216850 Ti\n0.830383 0.339849 0.216850 Ti\n0.173375 0.173375 0.726948 Ti\n0.826004 0.826004 0.212803 V\n0.185028 0.645699 0.719625 V\n0.645699 0.185028 0.719625 V\n0.672421 0.672421 0.516162 Sb\n0.333493 0.333493 0.004362 Sb\n0.319756 0.839955 0.610410 O\n0.509920 0.509920 0.312309 O\n0.659861 0.659861 0.106289 O\n0.001803 0.001803 0.311605 O\n0.000634 0.000634 0.808788 O\n0.839955 0.319756 0.610410 O\n0.506715 0.982421 0.311376 O\n0.982421 0.506715 0.311376 O\n0.152665 0.152665 0.101293 O\n0.846322 0.846322 0.615558 O\n0.026788 0.485579 0.827986 O\n0.485579 0.026788 0.827986 O\n0.329412 0.329412 0.608129 O\n0.148207 0.693444 0.103947 O\n0.490420 0.490420 0.826023 O\n0.693444 0.148207 0.103947 O\n",
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"volume_molar": 6.8988158208868136,
"formula_full": "Li4 Ti3 V3 Sb2 O16",
"formula_reduced": "Li4Ti3V3(SbO8)2",
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"spacegroup": 8
},
{
"id": "mp-676286",
"created_at": "2022-09-04T14:40:07.048637Z",
"structure_string": "Zr8 Cd2 O18\n1.0\n1.753031 16.793151 0.000000\n-1.753031 16.793151 0.000000\n0.000000 0.113551 6.111549\nZr Cd O\n8 2 18\ndirect\n0.411610 0.411610 0.689228 Zr\n0.894034 0.894034 0.188889 Zr\n0.588390 0.588390 0.310772 Zr\n0.105966 0.105966 0.811111 Zr\n0.207449 0.207449 0.109733 Zr\n0.792551 0.792551 0.890267 Zr\n0.691505 0.691505 0.593977 Zr\n0.308495 0.308495 0.406023 Zr\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.931155 0.931155 0.459881 O\n0.423450 0.423450 0.068739 O\n0.525567 0.525567 0.296450 O\n0.112012 0.112012 0.172140 O\n0.629243 0.629243 0.586016 O\n0.730057 0.730057 0.877827 O\n0.474433 0.474433 0.703550 O\n0.576550 0.576550 0.931261 O\n0.317593 0.317593 0.767203 O\n0.169144 0.169144 0.827188 O\n0.068845 0.068845 0.540119 O\n0.216298 0.216298 0.469745 O\n0.783702 0.783702 0.530255 O\n0.682407 0.682407 0.232797 O\n0.830856 0.830856 0.172812 O\n0.269943 0.269943 0.122173 O\n0.370757 0.370757 0.413984 O\n0.887988 0.887988 0.827860 O\n",
"nsites": 28,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-O-Zr",
"density": 5.734274545196813,
"density_atomic": 0.0778134997100144,
"volume": 359.83473438859437,
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"formula_full": "Zr8 Cd2 O18",
"formula_reduced": "Zr4CdO9",
"formula_anonymous": "AB4C9",
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"updated_at": "2021-11-28T01:34:50.021000Z",
"spacegroup": 12
},
{
"id": "mp-1218877",
"created_at": "2022-09-04T14:40:04.201712Z",
"structure_string": "Sr2 Ce1 Pr1 Cu3 Pb2 O10\n1.0\n-3.874119 0.000000 0.000000\n-0.001385 -3.902929 0.000000\n1.855265 1.638488 18.796144\nSr Ce Pr Cu Pb O\n2 1 1 3 2 10\ndirect\n0.121794 0.130151 0.236388 Sr\n0.878644 0.869514 0.764619 Sr\n0.784642 0.782593 0.570686 Ce\n0.215114 0.216802 0.429471 Pr\n0.666090 0.668387 0.330622 Cu\n0.332925 0.331245 0.666952 Cu\n0.999555 0.999105 0.999180 Cu\n0.554082 0.546585 0.093746 Pb\n0.446031 0.453401 0.905739 Pb\n0.171409 0.674949 0.341891 O\n0.327613 0.827140 0.655844 O\n0.827500 0.326954 0.655379 O\n0.671286 0.172223 0.340839 O\n0.252704 0.749864 0.505895 O\n0.752280 0.252041 0.506397 O\n0.608508 0.619125 0.209072 O\n0.390651 0.380155 0.789059 O\n0.063008 0.146944 0.095651 O\n0.936165 0.852823 0.902570 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ce-Cu-O-Pb-Pr-Sr",
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"volume": 284.2054299112214,
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"formula_full": "Sr2 Ce1 Pr1 Cu3 Pb2 O10",
"formula_reduced": "Sr2CePrCu3(PbO5)2",
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}
]
}