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{
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"structure_string": "Cs1 Co1 H18 N6 Cl4 O8\n1.0\n9.643558 -3.930753 0.000000\n9.643558 3.930753 0.000000\n8.041367 0.000000 6.617056\nCs Co H N Cl O\n1 1 18 6 4 8\ndirect\n0.502332 0.502332 0.502332 Cs\n0.976453 0.976453 0.976453 Co\n0.644367 0.981940 0.188218 H\n0.981940 0.644367 0.188218 H\n0.981940 0.188218 0.644367 H\n0.188218 0.981940 0.644367 H\n0.644367 0.188218 0.981940 H\n0.188218 0.644367 0.981940 H\n0.796331 0.796331 0.502334 H\n0.792615 0.010056 0.295529 H\n0.010056 0.792615 0.295529 H\n0.918414 0.918414 0.411723 H\n0.796331 0.502334 0.796331 H\n0.502334 0.796331 0.796331 H\n0.295529 0.010056 0.792615 H\n0.010056 0.295529 0.792615 H\n0.792615 0.295529 0.010056 H\n0.295529 0.792615 0.010056 H\n0.411723 0.918414 0.918414 H\n0.918414 0.411723 0.918414 H\n0.708187 0.083408 0.083408 N\n0.083408 0.708187 0.083408 N\n0.083408 0.083408 0.708187 N\n0.881803 0.881803 0.374931 N\n0.374931 0.881803 0.881803 N\n0.881803 0.374931 0.881803 N\n0.186182 0.186182 0.186182 Cl\n0.383161 0.383161 0.383161 Cl\n0.639120 0.639120 0.639120 Cl\n0.809378 0.809378 0.809378 Cl\n0.133536 0.133536 0.133536 O\n0.689363 0.689363 0.993502 O\n0.993502 0.689363 0.689363 O\n0.689363 0.993502 0.689363 O\n0.304813 0.000230 0.304813 O\n0.000230 0.304813 0.304813 O\n0.304813 0.304813 0.000230 O\n0.860614 0.860614 0.860614 O\n",
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{
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"volume": 298.8158413409849,
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"formula_full": "Li9 Mn7 O16",
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{
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"created_at": "2022-09-04T14:47:07.154243Z",
"structure_string": "Cr4 Si2 C2\n1.0\n1.437184 -2.489275 0.000000\n1.437184 2.489275 0.000000\n0.000000 0.000000 11.913891\nCr Si C\n4 2 2\ndirect\n0.333333 0.666667 0.410380 Cr\n0.666667 0.333333 0.589620 Cr\n0.666667 0.333333 0.910380 Cr\n0.333333 0.666667 0.089620 Cr\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Li1 Ga2 Ag1\n1.0\n-5.280662 5.321147 7.507177\n5.280662 -5.321147 7.507177\n5.280662 5.321147 -7.507177\nLi Ga Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257557 0.257557 Ga\n0.000000 0.742443 0.742443 Ga\n0.000000 0.500000 0.500000 Ag\n",
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"spacegroup": 71
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{
"id": "mp-1228571",
"created_at": "2022-09-04T14:47:09.110062Z",
"structure_string": "Ba2 Pr2 Co4 O11\n1.0\n-2.830062 2.830062 7.681991\n2.830062 -2.830062 7.681991\n2.830062 2.830062 -7.681991\nBa Pr Co O\n2 2 4 11\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.374810 0.374810 0.000000 Co\n0.879119 0.879119 0.000000 Co\n0.625190 0.625190 0.000000 Co\n0.120881 0.120881 0.000000 Co\n0.157855 0.157855 0.525564 O\n0.632291 0.632291 0.474436 O\n0.367709 0.367709 0.525564 O\n0.842145 0.842145 0.474436 O\n0.632291 0.157855 0.000000 O\n0.157855 0.632291 0.000000 O\n0.367709 0.842145 0.000000 O\n0.842145 0.367709 0.000000 O\n0.238951 0.238951 0.000000 O\n0.761049 0.761049 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ba2 Pr2 Co4 O11",
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},
{
"id": "mp-1097549",
"created_at": "2022-09-04T14:47:13.033237Z",
"structure_string": "Sc2 Co1 Cu1\n1.0\n-4.729245 5.320600 7.113901\n4.729245 -5.320600 7.113901\n4.729245 5.320600 -7.113901\nSc Co Cu\n2 1 1\ndirect\n0.000000 0.220360 0.220360 Sc\n0.000000 0.779640 0.779640 Sc\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"density": 0.4925666616252553,
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{
"id": "mp-1209207",
"created_at": "2022-09-04T14:47:11.176913Z",
"structure_string": "Rb3 Se3 O12\n1.0\n-4.442999 0.000000 0.000000\n-0.020754 -7.775503 0.000000\n2.166771 3.867194 9.931974\nRb Se O\n3 3 12\ndirect\n0.911923 0.195208 0.457003 Rb\n0.486529 0.786460 0.789069 Rb\n0.325200 0.457049 0.131077 Rb\n0.616427 0.286302 0.790792 Se\n0.195712 0.954708 0.129931 Se\n0.905304 0.697149 0.459799 Se\n0.454780 0.797395 0.073343 O\n0.947399 0.513685 0.329926 O\n0.959228 0.854212 0.196478 O\n0.804861 0.457428 0.924858 O\n0.853455 0.119742 0.723288 O\n0.369211 0.144399 0.252568 O\n0.442784 0.356743 0.669657 O\n0.598144 0.804547 0.403344 O\n0.217023 0.856808 0.517435 O\n0.006222 0.995788 0.997459 O\n0.357564 0.184282 0.846413 O\n0.859334 0.642286 0.588741 O\n",
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"formula_full": "Rb3 Se3 O12",
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{
"id": "mp-1228121",
"created_at": "2022-09-04T14:47:05.209858Z",
"structure_string": "Ba5 Mg18 Ge13\n1.0\n7.368808 -12.763150 0.000000\n7.368808 12.763150 0.000000\n0.000000 0.000000 4.541461\nBa Mg Ge\n5 18 13\ndirect\n0.333333 0.666667 0.999900 Ba\n0.666667 0.333333 0.999900 Ba\n0.817665 0.000000 0.496421 Ba\n0.000000 0.817665 0.496421 Ba\n0.182335 0.182335 0.496421 Ba\n0.442048 0.000000 0.000235 Mg\n0.000000 0.442048 0.000235 Mg\n0.557952 0.557952 0.000235 Mg\n0.516219 0.877133 0.499883 Mg\n0.122867 0.639087 0.499883 Mg\n0.360913 0.483781 0.499883 Mg\n0.639087 0.122867 0.499883 Mg\n0.483781 0.360913 0.499883 Mg\n0.877133 0.516219 0.499883 Mg\n0.823619 0.197622 0.999748 Mg\n0.802378 0.625997 0.999748 Mg\n0.374003 0.176381 0.999748 Mg\n0.625997 0.802378 0.999748 Mg\n0.176381 0.374003 0.999748 Mg\n0.197622 0.823619 0.999748 Mg\n0.280229 0.000000 0.500479 Mg\n0.000000 0.280229 0.500479 Mg\n0.719771 0.719771 0.500479 Mg\n0.630681 0.000000 0.999118 Ge\n0.000000 0.630681 0.999118 Ge\n0.369319 0.369319 0.999118 Ge\n0.521907 0.689643 0.499989 Ge\n0.310357 0.832264 0.499989 Ge\n0.167736 0.478093 0.499989 Ge\n0.832264 0.310357 0.499989 Ge\n0.478093 0.167736 0.499989 Ge\n0.689643 0.521907 0.499989 Ge\n0.172776 0.000000 0.002743 Ge\n0.000000 0.172776 0.002743 Ge\n0.827224 0.827224 0.002743 Ge\n0.000000 0.000000 0.911806 Ge\n",
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"density": 4.020799119350925,
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"formula_full": "Ba5 Mg18 Ge13",
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{
"id": "mp-1223719",
"created_at": "2022-09-04T14:47:08.877020Z",
"structure_string": "K4 Co4 Se6 O18\n1.0\n2.785330 -4.824334 0.000000\n2.785330 4.824334 0.000000\n0.000000 0.000000 18.005579\nK Co Se O\n4 4 6 18\ndirect\n0.666667 0.333333 0.530058 K\n0.333333 0.666667 0.460050 K\n0.333333 0.666667 0.030058 K\n0.666667 0.333333 0.960050 K\n0.666667 0.333333 0.169213 Co\n0.333333 0.666667 0.836012 Co\n0.333333 0.666667 0.669213 Co\n0.666667 0.333333 0.336012 Co\n0.000000 0.000000 0.638535 Se\n0.000000 0.000000 0.359760 Se\n0.000000 0.000000 0.138535 Se\n0.000000 0.000000 0.859760 Se\n0.666667 0.333333 0.714551 Se\n0.333333 0.666667 0.214551 Se\n0.839488 0.160512 0.095576 O\n0.321025 0.160512 0.095576 O\n0.839488 0.678975 0.095576 O\n0.159145 0.840855 0.904301 O\n0.681710 0.840855 0.904301 O\n0.159145 0.318290 0.904301 O\n0.160512 0.839488 0.595576 O\n0.678975 0.839488 0.595576 O\n0.160512 0.321025 0.595576 O\n0.840855 0.159145 0.404301 O\n0.318290 0.159145 0.404301 O\n0.840855 0.681710 0.404301 O\n0.502734 0.497266 0.752432 O\n0.994531 0.497266 0.752432 O\n0.502734 0.005469 0.752432 O\n0.497266 0.502734 0.252432 O\n0.005469 0.502734 0.252432 O\n0.497266 0.994531 0.252432 O\n",
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"formula_full": "K4 Co4 Se6 O18",
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{
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"created_at": "2022-09-04T14:47:10.018636Z",
"structure_string": "Mg1 Cr2 Sb2 P4 O16\n1.0\n11.037816 -0.478857 0.070788\n-0.253053 6.528089 -0.044829\n0.009691 -0.017164 4.899343\nMg Cr Sb P O\n1 2 2 4 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.194473 0.777403 0.396075 Cr\n0.805527 0.222598 0.603925 Cr\n0.273255 0.304259 0.974703 Sb\n0.726745 0.695741 0.025297 Sb\n0.096305 0.254040 0.423908 P\n0.376505 0.792181 0.889167 P\n0.623495 0.207819 0.110833 P\n0.903695 0.745960 0.576092 P\n0.038988 0.761981 0.618917 O\n0.123622 0.256805 0.734653 O\n0.164008 0.082401 0.271349 O\n0.162764 0.450695 0.280241 O\n0.339199 0.990606 0.740274 O\n0.282537 0.614240 0.791562 O\n0.368574 0.809869 0.205912 O\n0.495010 0.235104 0.221433 O\n0.504990 0.764896 0.778567 O\n0.631426 0.190131 0.794088 O\n0.660801 0.009394 0.259726 O\n0.717463 0.385760 0.208438 O\n0.837236 0.549305 0.719759 O\n0.835992 0.917599 0.728651 O\n0.876378 0.743195 0.265347 O\n0.961012 0.238019 0.381083 O\n",
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},
{
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"structure_string": "Ni2 N11 Cl8\n1.0\n6.268399 0.000000 0.000000\n0.000000 8.326665 0.000000\n0.000000 0.000000 9.484395\nNi N Cl\n2 11 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.772697 0.000000 N\n0.500000 0.270936 0.500000 N\n0.500000 0.729064 0.500000 N\n0.000000 0.227303 0.000000 N\n0.500000 0.642342 0.000000 N\n0.000000 0.142841 0.500000 N\n0.000000 0.857159 0.500000 N\n0.500000 0.357658 0.000000 N\n0.500000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.260215 0.500000 0.669157 Cl\n0.735638 0.000000 0.162876 Cl\n0.264362 0.000000 0.837124 Cl\n0.739785 0.500000 0.330843 Cl\n0.739785 0.500000 0.669157 Cl\n0.264362 0.000000 0.162876 Cl\n0.735638 0.000000 0.837124 Cl\n0.260215 0.500000 0.330843 Cl\n",
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"elements": [
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"chemical_system": "Cl-N-Ni",
"density": 1.861962113689843,
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"formula_full": "Ni2 N11 Cl8",
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{
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"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n8.469062 0.000000 0.000000\n-1.913362 8.283790 0.000000\n-3.050469 -4.023528 9.006898\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.767101 0.746663 0.256927 Na\n0.478042 0.022573 0.261829 Na\n0.985592 0.476838 0.230439 Na\n0.515518 0.014256 0.755419 Na\n0.995973 0.491118 0.754768 Na\n0.236469 0.244975 0.751726 Na\n0.766365 0.773168 0.760688 Na\n0.450845 0.705630 0.923467 Na\n0.944181 0.186600 0.352978 Mn\n0.442260 0.686191 0.351906 Mn\n0.556820 0.311873 0.642727 Mn\n0.059545 0.805198 0.647620 Mn\n0.186818 0.935690 0.423220 P\n0.700536 0.445294 0.425695 P\n0.311343 0.559528 0.576044 P\n0.805854 0.061065 0.574789 P\n0.762285 0.016238 0.073674 C\n0.281224 0.531974 0.074265 C\n0.720204 0.475461 0.922088 C\n0.226288 0.968074 0.919414 C\n0.311887 0.033257 0.054622 O\n0.786412 0.540309 0.061229 O\n0.431567 0.671437 0.153090 O\n0.907569 0.156129 0.145622 O\n0.700650 0.954647 0.155919 O\n0.214786 0.472920 0.153206 O\n0.276737 0.838256 0.331291 O\n0.062380 0.003350 0.329899 O\n0.780635 0.334591 0.331776 O\n0.605319 0.537487 0.338906 O\n0.163118 0.421140 0.430625 O\n0.569376 0.316745 0.459699 O\n0.064545 0.796207 0.457235 O\n0.664285 0.920581 0.423612 O\n0.325705 0.085677 0.571712 O\n0.444156 0.691661 0.543782 O\n0.942397 0.195741 0.546910 O\n0.846393 0.585607 0.578324 O\n0.245299 0.671346 0.684011 O\n0.420143 0.479518 0.670884 O\n0.722024 0.169660 0.667404 O\n0.908759 0.978769 0.667265 O\n0.779641 0.537513 0.838827 O\n0.270723 0.021518 0.823708 O\n0.573555 0.331701 0.844242 O\n0.078052 0.826654 0.849130 O\n0.687567 0.945090 0.932265 O\n0.221213 0.474349 0.933561 O\n",
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"formula_full": "Na8 Mn4 P4 C4 O28",
"formula_reduced": "Na2MnPCO7",
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]
}