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{
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{
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"structure_string": "B6 Pb20 Br6 O26\n1.0\n4.555689 8.489070 0.000000\n-4.555689 8.489070 0.000000\n0.000000 7.153341 15.595402\nB Pb Br O\n6 20 6 26\ndirect\n0.879158 0.726939 0.187234 B\n0.275925 0.117885 0.306240 B\n0.117885 0.275925 0.806240 B\n0.726939 0.879158 0.687234 B\n0.496208 0.999955 0.005528 B\n0.999955 0.496208 0.505528 B\n0.931627 0.856020 0.002422 Pb\n0.150646 0.065451 0.494826 Pb\n0.065451 0.150646 0.994826 Pb\n0.856020 0.931627 0.502422 Pb\n0.344920 0.835555 0.836738 Pb\n0.163096 0.653935 0.664279 Pb\n0.653935 0.163096 0.164279 Pb\n0.835555 0.344920 0.336738 Pb\n0.365829 0.678498 0.065813 Pb\n0.327957 0.618683 0.442185 Pb\n0.618683 0.327957 0.942185 Pb\n0.678498 0.365829 0.565813 Pb\n0.529127 0.143680 0.800770 Pb\n0.828545 0.480696 0.709082 Pb\n0.480696 0.828545 0.209082 Pb\n0.143680 0.529127 0.300770 Pb\n0.764970 0.674108 0.897478 Pb\n0.324622 0.240303 0.599981 Pb\n0.240303 0.324622 0.099981 Pb\n0.674108 0.764970 0.397478 Pb\n0.236740 0.537984 0.889690 Br\n0.470523 0.760531 0.607061 Br\n0.760531 0.470523 0.107061 Br\n0.537984 0.236740 0.389690 Br\n0.948469 0.046547 0.753160 Br\n0.046547 0.948469 0.253160 Br\n0.271911 0.142143 0.828565 O\n0.860358 0.727835 0.661556 O\n0.727835 0.860358 0.161556 O\n0.142143 0.271911 0.328565 O\n0.173716 0.881790 0.968045 O\n0.126222 0.822674 0.531406 O\n0.822674 0.126222 0.031406 O\n0.881790 0.173716 0.468045 O\n0.539506 0.634123 0.929229 O\n0.380642 0.453748 0.578437 O\n0.453748 0.380642 0.078437 O\n0.634123 0.539506 0.429229 O\n0.031367 0.678469 0.127661 O\n0.325294 0.970385 0.368805 O\n0.970385 0.325294 0.868805 O\n0.678469 0.031367 0.627661 O\n0.643705 0.877094 0.773321 O\n0.110593 0.360598 0.720199 O\n0.360598 0.110593 0.220199 O\n0.877094 0.643705 0.273321 O\n0.575710 0.949743 0.926934 O\n0.949743 0.575710 0.426934 O\n0.897587 0.442629 0.574898 O\n0.442629 0.897587 0.074898 O\n0.151680 0.470150 0.510856 O\n0.470150 0.151680 0.010856 O\n",
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"spacegroup": 9
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{
"id": "mp-1213793",
"created_at": "2022-09-04T14:39:21.646737Z",
"structure_string": "Co3 P2 O16\n1.0\n6.129893 4.792452 0.000000\n-6.129893 4.792452 0.000000\n0.000000 1.106866 4.287012\nCo P O\n3 2 16\ndirect\n0.625723 0.374277 0.000000 Co\n0.374277 0.625723 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.682817 0.682817 0.366322 P\n0.317183 0.317183 0.633678 P\n0.187979 0.961355 0.152014 O\n0.812021 0.038645 0.847986 O\n0.038645 0.812021 0.847986 O\n0.961355 0.187979 0.152014 O\n0.621478 0.190007 0.249912 O\n0.378522 0.809993 0.750088 O\n0.809993 0.378522 0.750088 O\n0.190007 0.621478 0.249912 O\n0.546020 0.760927 0.205533 O\n0.453980 0.239073 0.794467 O\n0.239073 0.453980 0.794467 O\n0.760927 0.546020 0.205533 O\n0.843369 0.843369 0.375240 O\n0.156631 0.156631 0.624760 O\n0.406686 0.406686 0.280337 O\n0.593314 0.593314 0.719663 O\n",
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"formula_full": "Co3 P2 O16",
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{
"id": "mp-28046",
"created_at": "2022-09-04T14:39:21.659528Z",
"structure_string": "Al8 P16 I72\n1.0\n11.482920 0.000000 0.000000\n0.000000 18.821126 0.000000\n0.000000 0.000000 21.606121\nAl P I\n8 16 72\ndirect\n0.869922 0.221083 0.379881 Al\n0.369922 0.278917 0.620119 Al\n0.130078 0.721083 0.120119 Al\n0.630078 0.778917 0.879881 Al\n0.130078 0.778917 0.620119 Al\n0.630078 0.721083 0.379881 Al\n0.869922 0.278917 0.879881 Al\n0.369922 0.221083 0.120119 Al\n0.805072 0.995189 0.133248 P\n0.305072 0.504811 0.866752 P\n0.194928 0.495189 0.366752 P\n0.694928 0.004811 0.633248 P\n0.194928 0.004811 0.866752 P\n0.694928 0.495189 0.133248 P\n0.805072 0.504811 0.633248 P\n0.305072 0.995189 0.366752 P\n0.669812 0.924172 0.087094 P\n0.169812 0.575828 0.912906 P\n0.330188 0.424172 0.412906 P\n0.830188 0.075828 0.587094 P\n0.330188 0.075828 0.912906 P\n0.830188 0.424172 0.087094 P\n0.669812 0.575828 0.587094 P\n0.169812 0.924172 0.412906 P\n0.974898 0.224835 0.483882 I\n0.725776 0.386179 0.881170 I\n0.774224 0.613821 0.381170 I\n0.274224 0.886179 0.618830 I\n0.774224 0.886179 0.881170 I\n0.274224 0.613821 0.118830 I\n0.225776 0.386179 0.618830 I\n0.725776 0.113821 0.381170 I\n0.000288 0.002625 0.398956 I\n0.500288 0.497375 0.601044 I\n0.999712 0.502625 0.101044 I\n0.499712 0.997375 0.898956 I\n0.999712 0.997375 0.601044 I\n0.499712 0.502625 0.398956 I\n0.000288 0.497375 0.898956 I\n0.500288 0.002625 0.101044 I\n0.150241 0.837153 0.329024 I\n0.650241 0.662847 0.670976 I\n0.849759 0.337153 0.170976 I\n0.349759 0.162847 0.829024 I\n0.849759 0.162847 0.670976 I\n0.349759 0.337153 0.329024 I\n0.150241 0.662847 0.829024 I\n0.650241 0.837153 0.170976 I\n0.225776 0.113821 0.118830 I\n0.989084 0.572963 0.632682 I\n0.510916 0.427037 0.132682 I\n0.010916 0.072963 0.867318 I\n0.510916 0.072963 0.632682 I\n0.010916 0.427037 0.367318 I\n0.489084 0.572963 0.867318 I\n0.989084 0.927037 0.132682 I\n0.262831 0.041545 0.262653 I\n0.762831 0.458455 0.737347 I\n0.737169 0.541545 0.237347 I\n0.237169 0.958455 0.762653 I\n0.737169 0.958455 0.737347 I\n0.237169 0.541545 0.262653 I\n0.262831 0.458455 0.762653 I\n0.762831 0.041545 0.237347 I\n0.327006 0.094813 0.437828 I\n0.827006 0.405187 0.562172 I\n0.672994 0.594813 0.062172 I\n0.172994 0.905187 0.937828 I\n0.672994 0.905187 0.562172 I\n0.172994 0.594813 0.437828 I\n0.327006 0.405187 0.937828 I\n0.827006 0.094813 0.062172 I\n0.489084 0.927037 0.367318 I\n0.474898 0.275165 0.516118 I\n0.025102 0.724835 0.016118 I\n0.525102 0.775165 0.983882 I\n0.025102 0.775165 0.516118 I\n0.525102 0.724835 0.483882 I\n0.974898 0.275165 0.983882 I\n0.474898 0.224835 0.016118 I\n0.002207 0.209479 0.286219 I\n0.502207 0.290521 0.713781 I\n0.997793 0.709479 0.213781 I\n0.497793 0.790521 0.786219 I\n0.997793 0.790521 0.713781 I\n0.497793 0.709479 0.286219 I\n0.002207 0.290521 0.786219 I\n0.502207 0.209479 0.213781 I\n0.752900 0.337954 0.369426 I\n0.252900 0.162046 0.630574 I\n0.247100 0.837954 0.130574 I\n0.747100 0.662046 0.869426 I\n0.247100 0.662046 0.630574 I\n0.747100 0.837954 0.369426 I\n0.752900 0.162046 0.869426 I\n0.252900 0.337954 0.130574 I\n",
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],
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{
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"structure_string": "Cu6 Bi2 Se4 Cl2 O16\n1.0\n6.421356 0.000000 0.000000\n0.000000 7.321250 0.000000\n0.000000 0.000000 9.759146\nCu Bi Se Cl O\n6 2 4 2 16\ndirect\n0.750000 0.000000 0.750000 Cu\n0.250000 0.000000 0.750000 Cu\n0.250000 0.000000 0.250000 Cu\n0.750000 0.000000 0.250000 Cu\n0.500000 0.793507 0.500000 Cu\n0.000000 0.206493 0.000000 Cu\n0.500000 0.247610 0.500000 Bi\n0.000000 0.752390 0.000000 Bi\n0.500000 0.608940 0.192810 Se\n0.000000 0.391060 0.307190 Se\n0.500000 0.608940 0.807190 Se\n0.000000 0.391060 0.692810 Se\n0.500000 0.151157 0.000000 Cl\n0.000000 0.848843 0.500000 Cl\n0.500000 0.991242 0.636357 O\n0.000000 0.008758 0.863643 O\n0.500000 0.991242 0.363643 O\n0.000000 0.008758 0.136357 O\n0.711375 0.754662 0.165916 O\n0.211375 0.245338 0.334084 O\n0.288625 0.754662 0.834084 O\n0.788625 0.245338 0.665916 O\n0.788625 0.245338 0.334084 O\n0.288625 0.754662 0.165916 O\n0.211375 0.245338 0.665916 O\n0.711375 0.754662 0.834084 O\n0.500000 0.587636 0.632065 O\n0.000000 0.412364 0.867935 O\n0.500000 0.587636 0.367935 O\n0.000000 0.412364 0.132065 O\n",
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{
"id": "mp-23011",
"created_at": "2022-09-04T14:39:21.671932Z",
"structure_string": "Rb1 Cl1 O3\n1.0\n3.417169 -3.075087 0.000000\n3.417169 3.075087 0.000000\n0.649919 0.000000 4.550913\nRb Cl O\n1 1 3\ndirect\n0.974797 0.974797 0.974797 Rb\n0.488709 0.488709 0.488709 Cl\n0.815990 0.422252 0.422252 O\n0.422252 0.422252 0.815990 O\n0.422252 0.815990 0.422252 O\n",
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{
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"structure_string": "Er6 Si6 Ni2\n1.0\n2.082363 5.133951 0.000000\n-2.082363 5.133951 0.000000\n0.000000 4.716320 12.588386\nEr Si Ni\n6 6 2\ndirect\n0.469724 0.469724 0.380282 Er\n0.602067 0.602067 0.078596 Er\n0.746979 0.746979 0.772384 Er\n0.530276 0.530276 0.619718 Er\n0.397933 0.397933 0.921404 Er\n0.253021 0.253021 0.227616 Er\n0.863803 0.863803 0.543283 Si\n0.954373 0.954373 0.236028 Si\n0.886031 0.886031 0.076068 Si\n0.113969 0.113969 0.923932 Si\n0.136197 0.136197 0.456717 Si\n0.045627 0.045627 0.763972 Si\n0.752459 0.752459 0.402515 Ni\n0.247541 0.247541 0.597485 Ni\n",
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{
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}