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{
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"results": [
{
"id": "mp-1191056",
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"structure_string": "Cd4 I4 O16\n1.0\n4.930886 0.000000 0.000000\n0.000000 6.933728 0.000000\n0.000000 0.000000 11.124150\nCd I O\n4 4 16\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.984807 0.750000 0.786313 I\n0.515193 0.750000 0.286313 I\n0.015193 0.250000 0.213687 I\n0.484807 0.250000 0.713687 I\n0.769522 0.954500 0.830812 O\n0.730478 0.545500 0.330812 O\n0.230478 0.454500 0.169188 O\n0.269522 0.045500 0.669188 O\n0.230478 0.045500 0.169188 O\n0.269522 0.454500 0.669188 O\n0.769522 0.545500 0.830812 O\n0.730478 0.954500 0.330812 O\n0.209388 0.750000 0.929276 O\n0.290612 0.750000 0.429276 O\n0.790612 0.250000 0.070724 O\n0.709388 0.250000 0.570724 O\n0.854660 0.750000 0.617031 O\n0.645340 0.750000 0.117031 O\n0.145340 0.250000 0.382969 O\n0.354660 0.250000 0.882969 O\n",
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{
"id": "mp-1643334",
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"structure_string": "Ba2 Sr8 Fe10 O30\n1.0\n-0.001003 3.941178 3.938968\n-7.884741 -0.000749 0.002752\n-3.947252 -7.885867 11.821415\nBa Sr Fe O\n2 8 10 30\ndirect\n0.499978 0.250188 0.000033 Ba\n0.500016 0.749807 0.999989 Ba\n0.899392 0.149599 0.201247 Sr\n0.899523 0.649191 0.201180 Sr\n0.100591 0.850392 0.798773 Sr\n0.100476 0.350809 0.798838 Sr\n0.299887 0.049871 0.400489 Sr\n0.299642 0.549668 0.400470 Sr\n0.700116 0.950144 0.599487 Sr\n0.700347 0.450328 0.599513 Sr\n0.000008 0.499985 0.999984 Fe\n0.000000 0.000003 0.999980 Fe\n0.601488 0.101560 0.796935 Fe\n0.600679 0.600696 0.798456 Fe\n0.399326 0.399313 0.201541 Fe\n0.398517 0.898427 0.203081 Fe\n0.799603 0.299692 0.400715 Fe\n0.799565 0.799586 0.400842 Fe\n0.200425 0.200404 0.599154 Fe\n0.200407 0.700304 0.599277 Fe\n0.999900 0.243208 0.999928 O\n0.000099 0.756801 0.000072 O\n0.999417 0.250165 0.500158 O\n0.000592 0.749839 0.499835 O\n0.500244 0.249818 0.500140 O\n0.499758 0.750186 0.499853 O\n0.603300 0.857748 0.792522 O\n0.603961 0.349896 0.792552 O\n0.396705 0.142250 0.207479 O\n0.396040 0.650109 0.207452 O\n0.799165 0.049522 0.400917 O\n0.799457 0.549540 0.400895 O\n0.200829 0.950480 0.599087 O\n0.200537 0.450457 0.599104 O\n0.806468 0.053019 0.894458 O\n0.805377 0.553253 0.893402 O\n0.194621 0.446749 0.106596 O\n0.193527 0.946977 0.105550 O\n0.299793 0.052916 0.894533 O\n0.300660 0.553450 0.893664 O\n0.699348 0.446555 0.106338 O\n0.700217 0.947084 0.105476 O\n0.400671 0.151222 0.697353 O\n0.401771 0.651951 0.696220 O\n0.598243 0.348053 0.303780 O\n0.599322 0.848771 0.302652 O\n0.901919 0.151393 0.697355 O\n0.901810 0.652094 0.696015 O\n0.098186 0.347911 0.303984 O\n0.098077 0.848613 0.302647 O\n",
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"volume_molar": 7.3736923416280495,
"formula_full": "Ba2 Sr8 Fe10 O30",
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"spacegroup": 71
},
{
"id": "mp-1147591",
"created_at": "2022-09-04T14:40:04.825224Z",
"structure_string": "Li24 Zn12 P16 S64\n1.0\n9.258801 0.000000 0.000000\n0.000000 11.637726 0.000000\n0.000000 0.028789 23.214240\nLi Zn P S\n24 12 16 64\ndirect\n0.253223 0.753381 0.997405 Li\n0.253223 0.246619 0.002595 Li\n0.751197 0.491811 0.122895 Li\n0.751197 0.508189 0.877105 Li\n0.494369 0.752092 0.623744 Li\n0.499499 0.249902 0.624694 Li\n0.499499 0.750098 0.375306 Li\n0.494369 0.247908 0.376256 Li\n0.997182 0.500000 0.500000 Li\n0.999456 0.000000 0.500000 Li\n0.503781 0.751672 0.127142 Li\n0.499921 0.246725 0.124830 Li\n0.003147 0.499248 0.252549 Li\n0.996692 0.999625 0.250530 Li\n0.499921 0.753275 0.875170 Li\n0.503781 0.248328 0.872858 Li\n0.009400 0.500000 0.000000 Li\n0.985149 0.000000 0.000000 Li\n0.003147 0.500752 0.747451 Li\n0.996692 0.000375 0.749470 Li\n0.518304 0.000000 0.000000 Li\n0.496325 0.500000 0.000000 Li\n0.001022 0.249677 0.127878 Li\n0.001022 0.750323 0.872122 Li\n0.499259 0.998961 0.751320 Zn\n0.492973 0.501773 0.747752 Zn\n0.499931 0.000000 0.500000 Zn\n0.501863 0.500000 0.500000 Zn\n0.999583 0.750457 0.624732 Zn\n0.000839 0.249339 0.624540 Zn\n0.499259 0.001039 0.248680 Zn\n0.492973 0.498227 0.252248 Zn\n0.000839 0.750661 0.375460 Zn\n0.999583 0.249543 0.375268 Zn\n0.000443 0.750220 0.125037 Zn\n0.000443 0.249780 0.874963 Zn\n0.249856 0.000761 0.625057 P\n0.248991 0.499904 0.624133 P\n0.249856 0.999239 0.374943 P\n0.248991 0.500096 0.375867 P\n0.749919 0.750265 0.499847 P\n0.749919 0.249735 0.500153 P\n0.249771 0.002642 0.126978 P\n0.251206 0.506322 0.123282 P\n0.752184 0.749212 0.250054 P\n0.745546 0.255506 0.251410 P\n0.249771 0.997358 0.873022 P\n0.251206 0.493678 0.876718 P\n0.751149 0.748364 0.000504 P\n0.751149 0.251636 0.999496 P\n0.745546 0.744494 0.748590 P\n0.752184 0.250788 0.749946 P\n0.130038 0.896239 0.821909 S\n0.129911 0.390654 0.822623 S\n0.135393 0.889427 0.573014 S\n0.133270 0.389384 0.572296 S\n0.626293 0.638846 0.695312 S\n0.633432 0.141220 0.699185 S\n0.135151 0.888192 0.322919 S\n0.137489 0.387589 0.323700 S\n0.636020 0.638797 0.447730 S\n0.635301 0.138780 0.448082 S\n0.130659 0.890658 0.072822 S\n0.132271 0.394672 0.073787 S\n0.631250 0.636235 0.199220 S\n0.635370 0.142648 0.198623 S\n0.630050 0.640976 0.948158 S\n0.631941 0.150536 0.947402 S\n0.364665 0.603228 0.568611 S\n0.364372 0.104512 0.569104 S\n0.360618 0.605867 0.319943 S\n0.365222 0.102641 0.319441 S\n0.864867 0.353651 0.444621 S\n0.864103 0.854576 0.444125 S\n0.373304 0.610895 0.071557 S\n0.370776 0.100600 0.071159 S\n0.867010 0.357982 0.198211 S\n0.862789 0.853236 0.193792 S\n0.369827 0.599065 0.822239 S\n0.369191 0.105107 0.820355 S\n0.873507 0.361043 0.944253 S\n0.879464 0.844676 0.949337 S\n0.865723 0.354320 0.694040 S\n0.862347 0.850245 0.694233 S\n0.135151 0.111808 0.677081 S\n0.137489 0.612411 0.676300 S\n0.135393 0.110573 0.426986 S\n0.133270 0.610616 0.427704 S\n0.635301 0.861220 0.551918 S\n0.636020 0.361203 0.552270 S\n0.130038 0.103761 0.178091 S\n0.129911 0.609346 0.177377 S\n0.633432 0.858780 0.300815 S\n0.626293 0.361154 0.304688 S\n0.130659 0.109342 0.927178 S\n0.132271 0.605328 0.926213 S\n0.631941 0.849464 0.052598 S\n0.630050 0.359024 0.051842 S\n0.635370 0.857352 0.801377 S\n0.631250 0.363765 0.800780 S\n0.365222 0.897359 0.680559 S\n0.360618 0.394133 0.680057 S\n0.364372 0.895488 0.430896 S\n0.364665 0.396772 0.431389 S\n0.864867 0.646349 0.555379 S\n0.864103 0.145424 0.555875 S\n0.369191 0.894893 0.179645 S\n0.369827 0.400935 0.177761 S\n0.865723 0.645680 0.305960 S\n0.862347 0.149755 0.305767 S\n0.370776 0.899400 0.928841 S\n0.373304 0.389105 0.928443 S\n0.873507 0.638957 0.055747 S\n0.879464 0.155324 0.050663 S\n0.867010 0.642018 0.801789 S\n0.862789 0.146764 0.806208 S\n",
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"elements": [
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"P",
"S"
],
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"formula_full": "Li24 Zn12 P16 S64",
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"spacegroup": 3
},
{
"id": "mp-1217366",
"created_at": "2022-09-04T14:40:04.827076Z",
"structure_string": "Ti8 Nb8 Ni8 C4\n1.0\n-4.108867 4.108867 5.746135\n4.108867 -4.108867 5.746135\n4.108867 4.108867 -5.746135\nTi Nb Ni C\n8 8 8 4\ndirect\n0.872823 0.120446 0.247623 Ti\n0.879554 0.127177 0.752377 Ti\n0.374800 0.127177 0.247623 Ti\n0.872823 0.625200 0.752377 Ti\n0.315325 0.684675 0.000000 Ti\n0.684675 0.315325 0.000000 Ti\n0.684675 0.684675 0.369350 Ti\n0.315325 0.315325 0.630650 Ti\n0.682846 0.682846 0.000000 Nb\n0.317154 0.317154 0.000000 Nb\n0.432798 0.567202 0.500000 Nb\n0.067202 0.932798 0.500000 Nb\n0.067202 0.567202 0.134403 Nb\n0.432798 0.932798 0.865597 Nb\n0.065971 0.565971 0.500000 Nb\n0.434029 0.934029 0.500000 Nb\n0.077511 0.919108 0.841597 Ni\n0.080892 0.922489 0.158403 Ni\n0.764085 0.922489 0.841597 Ni\n0.077511 0.235915 0.158403 Ni\n0.665276 0.328124 0.662848 Ni\n0.671876 0.334724 0.337152 Ni\n0.997572 0.334724 0.662848 Ni\n0.665276 0.002428 0.337152 Ni\n0.378790 0.627324 0.248533 C\n0.372676 0.621210 0.751467 C\n0.869743 0.621210 0.248533 C\n0.378790 0.130257 0.751467 C\n",
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{
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"structure_string": "Yb4 Mg2\n1.0\n1.859061 -9.328326 0.000000\n1.859061 9.328326 0.000000\n0.000000 0.000000 5.915863\nYb Mg\n4 2\ndirect\n0.592722 0.407278 0.750000 Yb\n0.281169 0.718831 0.750000 Yb\n0.407278 0.592722 0.250000 Yb\n0.718831 0.281169 0.250000 Yb\n0.938477 0.061523 0.750000 Mg\n0.061523 0.938477 0.250000 Mg\n",
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"spacegroup": 63
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{
"id": "mp-1040233",
"created_at": "2022-09-04T14:40:07.053602Z",
"structure_string": "K1 Mg30 Bi1 O32\n1.0\n8.670106 0.000000 0.000000\n0.000000 8.670106 0.000000\n0.000000 0.000000 8.662227\nK Mg Bi O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.243231 0.243231 0.000000 Mg\n0.756769 0.243231 0.000000 Mg\n0.243231 0.756769 0.000000 Mg\n0.756769 0.756769 0.000000 Mg\n0.248504 0.248504 0.500000 Mg\n0.751496 0.248504 0.500000 Mg\n0.248504 0.751496 0.500000 Mg\n0.751496 0.751496 0.500000 Mg\n0.250199 0.000000 0.251900 Mg\n0.749801 0.000000 0.251900 Mg\n0.241836 0.500000 0.256993 Mg\n0.758164 0.500000 0.256993 Mg\n0.250199 0.000000 0.748100 Mg\n0.749801 0.000000 0.748100 Mg\n0.241836 0.500000 0.743007 Mg\n0.758164 0.500000 0.743007 Mg\n0.000000 0.250199 0.251900 Mg\n0.500000 0.241836 0.256993 Mg\n0.000000 0.749801 0.251900 Mg\n0.500000 0.758164 0.256993 Mg\n0.000000 0.250199 0.748100 Mg\n0.500000 0.241836 0.743007 Mg\n0.000000 0.749801 0.748100 Mg\n0.500000 0.758164 0.743007 Mg\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.273706 O\n0.500000 0.000000 0.256633 O\n0.000000 0.500000 0.256633 O\n0.500000 0.500000 0.266714 O\n0.000000 0.000000 0.726294 O\n0.500000 0.000000 0.743367 O\n0.000000 0.500000 0.743367 O\n0.500000 0.500000 0.733286 O\n0.251060 0.251060 0.249103 O\n0.748940 0.251060 0.249103 O\n0.251060 0.748940 0.249103 O\n0.748940 0.748940 0.249103 O\n0.251060 0.251060 0.750897 O\n0.748940 0.251060 0.750897 O\n0.251060 0.748940 0.750897 O\n0.748940 0.748940 0.750897 O\n0.272167 0.000000 0.000000 O\n0.727833 0.000000 0.000000 O\n0.236350 0.500000 0.000000 O\n0.763650 0.500000 0.000000 O\n0.254321 0.000000 0.500000 O\n0.745679 0.000000 0.500000 O\n0.249285 0.500000 0.500000 O\n0.750715 0.500000 0.500000 O\n0.000000 0.272167 0.000000 O\n0.500000 0.236350 0.000000 O\n0.000000 0.727833 0.000000 O\n0.500000 0.763650 0.000000 O\n0.000000 0.254321 0.500000 O\n0.500000 0.249285 0.500000 O\n0.000000 0.745679 0.500000 O\n0.500000 0.750715 0.500000 O\n",
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{
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"structure_string": "Pb4 O2\n1.0\n5.472354 0.000000 0.000000\n0.000000 5.472354 0.000000\n0.000000 0.000000 5.472354\nPb O\n4 2\ndirect\n0.750000 0.750000 0.250000 Pb\n0.750000 0.250000 0.750000 Pb\n0.250000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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