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{
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"structure_string": "Sc2 Cu2 O4\n1.0\n1.622171 -2.809682 0.000000\n1.622171 2.809682 0.000000\n0.000000 0.000000 11.449398\nSc Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.410774 O\n0.666667 0.333333 0.910774 O\n0.333333 0.666667 0.089226 O\n0.666667 0.333333 0.589226 O\n",
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{
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"structure_string": "Zn8 As8\n1.0\n5.749606 0.000000 0.000000\n0.000000 7.339193 0.000000\n0.000000 0.000000 7.659209\nZn As\n8 8\ndirect\n0.539602 0.616522 0.633707 Zn\n0.039602 0.883478 0.366293 Zn\n0.460398 0.116522 0.866293 Zn\n0.960398 0.383478 0.133707 Zn\n0.460398 0.383478 0.366293 Zn\n0.960398 0.116522 0.633707 Zn\n0.539602 0.883478 0.133707 Zn\n0.039602 0.616522 0.866293 Zn\n0.136774 0.073849 0.101513 As\n0.636774 0.426151 0.898487 As\n0.863226 0.573849 0.398487 As\n0.363226 0.926151 0.601513 As\n0.863226 0.926151 0.898487 As\n0.363226 0.573849 0.101513 As\n0.136774 0.426151 0.601513 As\n0.636774 0.073849 0.398487 As\n",
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{
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{
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"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.964382 0.000000 0.000000\n0.000000 5.360590 0.000000\n0.000000 0.230933 10.584676\nLi Mn O F\n4 8 12 4\ndirect\n0.056805 0.572017 0.767102 Li\n0.550595 0.122377 0.735853 Li\n0.050595 0.877623 0.264147 Li\n0.556805 0.427983 0.232898 Li\n0.497614 0.514326 0.507627 Mn\n0.247698 0.001518 0.505817 Mn\n0.747698 0.998482 0.494183 Mn\n0.997614 0.485674 0.492373 Mn\n0.989173 0.494904 0.018454 Mn\n0.235277 0.010809 0.995175 Mn\n0.735277 0.989191 0.004825 Mn\n0.489173 0.505096 0.981546 Mn\n0.743423 0.317286 0.583146 O\n0.251113 0.326769 0.589573 O\n0.503366 0.882454 0.597895 O\n0.003366 0.117546 0.402105 O\n0.243423 0.682714 0.416854 O\n0.751113 0.673231 0.410427 O\n0.721601 0.613480 0.097514 O\n0.983043 0.155180 0.091790 O\n0.489314 0.187176 0.077476 O\n0.989314 0.812824 0.922524 O\n0.483043 0.844820 0.908210 O\n0.221601 0.386520 0.902486 O\n0.999859 0.800399 0.632706 F\n0.499859 0.199601 0.367294 F\n0.231120 0.680435 0.140796 F\n0.731120 0.319565 0.859204 F\n",
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"nelements": 3,
"elements": [
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"chemical_system": "C-O-Ru",
"density": 2.3669767241628934,
"density_atomic": 0.06019809597340509,
"volume": 1794.076677237654,
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"formula_full": "Ru12 C48 O48",
"formula_reduced": "Ru(CO)4",
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"updated_at": "2021-11-28T01:34:51.602000Z",
"spacegroup": 14
},
{
"id": "mp-1038632",
"created_at": "2022-09-04T14:40:14.760704Z",
"structure_string": "Ba1 Mg30 Bi1 O32\n1.0\n8.764600 0.000000 0.000000\n-0.000000 8.773348 -0.000000\n0.000000 0.000000 8.773348\nBa Mg Bi O\n1 30 1 32\ndirect\n-0.000000 -0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mg\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n-0.000000 0.250231 0.250231 Mg\n-0.000000 0.250231 0.749769 Mg\n-0.000000 0.749769 0.250231 Mg\n-0.000000 0.749769 0.749769 Mg\n0.500000 0.249747 0.249747 Mg\n0.500000 0.249747 0.750253 Mg\n0.500000 0.750253 0.249747 Mg\n0.500000 0.750253 0.750253 Mg\n0.258706 -0.000000 0.256754 Mg\n0.258706 -0.000000 0.743246 Mg\n0.258091 0.500000 0.243281 Mg\n0.258091 0.500000 0.756719 Mg\n0.741294 -0.000000 0.256754 Mg\n0.741294 -0.000000 0.743246 Mg\n0.741909 0.500000 0.243281 Mg\n0.741909 0.500000 0.756719 Mg\n0.258706 0.256754 0.000000 Mg\n0.258091 0.243281 0.500000 Mg\n0.258706 0.743246 0.000000 Mg\n0.258091 0.756719 0.500000 Mg\n0.741294 0.256754 0.000000 Mg\n0.741909 0.243281 0.500000 Mg\n0.741294 0.743246 0.000000 Mg\n0.741909 0.756719 0.500000 Mg\n-0.000000 0.500000 0.500000 Bi\n0.278823 -0.000000 0.000000 O\n0.258684 -0.000000 0.500000 O\n0.258684 0.500000 0.000000 O\n0.268388 0.500000 0.500000 O\n0.721177 -0.000000 0.000000 O\n0.741316 -0.000000 0.500000 O\n0.741316 0.500000 0.000000 O\n0.731612 0.500000 0.500000 O\n0.248979 0.250436 0.250436 O\n0.248979 0.250436 0.749564 O\n0.248979 0.749564 0.250436 O\n0.248979 0.749564 0.749564 O\n0.751021 0.250436 0.250436 O\n0.751021 0.250436 0.749564 O\n0.751021 0.749564 0.250436 O\n0.751021 0.749564 0.749564 O\n-0.000000 -0.000000 0.277199 O\n-0.000000 -0.000000 0.722801 O\n-0.000000 0.500000 0.236022 O\n-0.000000 0.500000 0.763978 O\n0.500000 -0.000000 0.255921 O\n0.500000 -0.000000 0.744079 O\n0.500000 0.500000 0.248720 O\n0.500000 0.500000 0.751280 O\n-0.000000 0.277199 0.000000 O\n-0.000000 0.236022 0.500000 O\n-0.000000 0.722801 0.000000 O\n-0.000000 0.763978 0.500000 O\n0.500000 0.255921 0.000000 O\n0.500000 0.248720 0.500000 O\n0.500000 0.744079 0.000000 O\n0.500000 0.751280 0.500000 O\n",
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"updated_at": "2021-11-28T01:34:50.080000Z",
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}
]
}