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"results": [
{
"id": "mp-1190433",
"created_at": "2022-09-04T14:41:55.766980Z",
"structure_string": "Co4 H20 C4 N4 Cl8 O8\n1.0\n-0.114377 -0.006193 -6.839446\n-3.867388 -5.713498 1.114350\n-11.614756 5.726643 3.364886\nCo H C N Cl O\n4 20 4 4 8 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.999999 0.000000 0.000000 Co\n0.249684 0.985676 0.338058 H\n0.249914 0.485647 0.837871 H\n0.750088 0.514352 0.162130 H\n0.750315 0.014321 0.661943 H\n0.729623 0.013828 0.257713 H\n0.729400 0.513715 0.757779 H\n0.770474 0.120579 0.364188 H\n0.770965 0.620285 0.864325 H\n0.270600 0.486285 0.242221 H\n0.270378 0.986173 0.742286 H\n0.229035 0.379716 0.135674 H\n0.229526 0.879422 0.635812 H\n0.622314 0.903028 0.359345 H\n0.622149 0.402760 0.859473 H\n0.877897 0.912284 0.368872 H\n0.877791 0.412116 0.868863 H\n0.377850 0.597240 0.140527 H\n0.377687 0.096974 0.640654 H\n0.122209 0.587885 0.131136 H\n0.122103 0.087718 0.631127 H\n0.249994 0.840896 0.386402 C\n0.250777 0.340626 0.886107 C\n0.749225 0.659372 0.113893 C\n0.750000 0.159103 0.613599 C\n0.750020 0.987110 0.337630 N\n0.750027 0.486929 0.837692 N\n0.249973 0.513071 0.162308 N\n0.249980 0.012892 0.662370 N\n0.318320 0.048519 0.130703 Cl\n0.318530 0.551361 0.630638 Cl\n0.181449 0.329586 0.409021 Cl\n0.180293 0.829958 0.908647 Cl\n0.681471 0.448639 0.369362 Cl\n0.681681 0.951481 0.869297 Cl\n0.819707 0.170040 0.091354 Cl\n0.818550 0.670414 0.590980 Cl\n0.414809 0.764018 0.408423 O\n0.416060 0.264089 0.907292 O\n0.085476 0.769544 0.413914 O\n0.086960 0.269178 0.914143 O\n0.583942 0.735909 0.092707 O\n0.585190 0.235984 0.591578 O\n0.913043 0.730823 0.085858 O\n0.914522 0.230455 0.586086 O\n",
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"formula_full": "Co4 H20 C4 N4 Cl8 O8",
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{
"id": "mp-766016",
"created_at": "2022-09-04T14:42:04.750597Z",
"structure_string": "Li2 V2 Cr2 P4 O16 F4\n1.0\n6.879506 0.000000 0.000000\n3.413206 6.482563 0.000000\n0.281350 0.271433 7.929864\nLi V Cr P O F\n2 2 2 4 16 4\ndirect\n0.248938 0.819263 0.320431 Li\n0.751062 0.180737 0.679569 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.275105 0.244389 0.839622 P\n0.778197 0.241205 0.338006 P\n0.221803 0.758795 0.661994 P\n0.724895 0.755611 0.160378 P\n0.413052 0.602525 0.765100 O\n0.293068 0.911389 0.563086 O\n0.203727 0.086433 0.929796 O\n0.337806 0.338790 0.981030 O\n0.080481 0.396346 0.734837 O\n0.836154 0.334189 0.486573 O\n0.014634 0.895987 0.768349 O\n0.481375 0.118603 0.724355 O\n0.518625 0.881397 0.275645 O\n0.985366 0.104013 0.231651 O\n0.163846 0.665811 0.513427 O\n0.919519 0.603654 0.265163 O\n0.662194 0.661210 0.018970 O\n0.796273 0.913567 0.070204 O\n0.706932 0.088611 0.436914 O\n0.586948 0.397475 0.234900 O\n0.765678 0.262918 0.905823 F\n0.731126 0.738596 0.584198 F\n0.268874 0.261404 0.415802 F\n0.234322 0.737082 0.094177 F\n",
"nsites": 30,
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"density": 3.172431900211978,
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"volume_molar": 7.099036131885335,
"formula_full": "Li2 V2 Cr2 P4 O16 F4",
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"updated_at": "2021-11-28T01:35:44.889000Z",
"spacegroup": 2
},
{
"id": "mp-1199850",
"created_at": "2022-09-04T14:42:10.409621Z",
"structure_string": "Bi2 H36 C6 S6 O36 F18\n1.0\n7.036836 -12.188157 0.000000\n7.036836 12.188157 0.000000\n0.000000 0.000000 7.311791\nBi H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n0.362454 0.869174 0.541224 H\n0.130826 0.493280 0.541224 H\n0.506720 0.637546 0.541224 H\n0.637546 0.130826 0.041224 H\n0.869174 0.506720 0.041224 H\n0.493280 0.362454 0.041224 H\n0.637546 0.130826 0.458776 H\n0.869174 0.506720 0.458776 H\n0.493280 0.362454 0.458776 H\n0.362454 0.869174 0.958776 H\n0.130826 0.493280 0.958776 H\n0.506720 0.637546 0.958776 H\n0.275946 0.767775 0.425833 H\n0.232225 0.508171 0.425833 H\n0.491829 0.724054 0.425833 H\n0.724054 0.232225 0.925833 H\n0.767775 0.491829 0.925833 H\n0.508171 0.275946 0.925833 H\n0.724054 0.232225 0.574167 H\n0.767775 0.491829 0.574167 H\n0.508171 0.275946 0.574167 H\n0.275946 0.767775 0.074167 H\n0.232225 0.508171 0.074167 H\n0.491829 0.724054 0.074167 H\n0.097918 0.644981 0.640995 H\n0.355019 0.452937 0.640995 H\n0.547063 0.902082 0.640995 H\n0.902082 0.355019 0.140995 H\n0.644981 0.547063 0.140995 H\n0.452937 0.097918 0.140995 H\n0.902082 0.355019 0.359005 H\n0.644981 0.547063 0.359005 H\n0.452937 0.097918 0.359005 H\n0.097918 0.644981 0.859005 H\n0.355019 0.452937 0.859005 H\n0.547063 0.902082 0.859005 H\n0.231835 0.008743 0.750000 C\n0.991257 0.223092 0.750000 C\n0.776908 0.768165 0.750000 C\n0.768165 0.991257 0.250000 C\n0.008743 0.776908 0.250000 C\n0.223092 0.231835 0.250000 C\n0.382357 0.059019 0.750000 S\n0.940981 0.323338 0.750000 S\n0.676662 0.617643 0.750000 S\n0.617643 0.940981 0.250000 S\n0.059019 0.676662 0.250000 S\n0.323338 0.382357 0.250000 S\n0.340694 0.793280 0.505982 O\n0.206720 0.547414 0.505982 O\n0.452586 0.659306 0.505982 O\n0.659306 0.206720 0.005982 O\n0.793280 0.452586 0.005982 O\n0.547414 0.340694 0.005982 O\n0.659306 0.206720 0.494018 O\n0.793280 0.452586 0.494018 O\n0.547414 0.340694 0.494018 O\n0.340694 0.793280 0.994018 O\n0.206720 0.547414 0.994018 O\n0.452586 0.659306 0.994018 O\n0.143250 0.656417 0.750000 O\n0.343583 0.486833 0.750000 O\n0.513167 0.856750 0.750000 O\n0.856750 0.343583 0.250000 O\n0.656417 0.513167 0.250000 O\n0.486833 0.143250 0.250000 O\n0.399435 0.013509 0.580972 O\n0.986491 0.385926 0.580972 O\n0.614074 0.600565 0.580972 O\n0.600565 0.986491 0.080972 O\n0.013509 0.614074 0.080972 O\n0.385926 0.399435 0.080972 O\n0.600565 0.986491 0.419028 O\n0.013509 0.614074 0.419028 O\n0.385926 0.399435 0.419028 O\n0.399435 0.013509 0.919028 O\n0.986491 0.385926 0.919028 O\n0.614074 0.600565 0.919028 O\n0.434167 0.178810 0.750000 O\n0.821190 0.255357 0.750000 O\n0.744643 0.565833 0.750000 O\n0.565833 0.821190 0.250000 O\n0.178810 0.744643 0.250000 O\n0.255357 0.434167 0.250000 O\n0.176069 0.897609 0.750000 F\n0.102391 0.278460 0.750000 F\n0.721540 0.823931 0.750000 F\n0.823931 0.102391 0.250000 F\n0.897609 0.721540 0.250000 F\n0.278460 0.176069 0.250000 F\n0.203845 0.044844 0.599579 F\n0.955156 0.159001 0.599579 F\n0.840999 0.796155 0.599579 F\n0.796155 0.955156 0.099579 F\n0.044844 0.840999 0.099579 F\n0.159001 0.203845 0.099579 F\n0.796155 0.955156 0.400421 F\n0.044844 0.840999 0.400421 F\n0.159001 0.203845 0.400421 F\n0.203845 0.044844 0.900421 F\n0.955156 0.159001 0.900421 F\n0.840999 0.796155 0.900421 F\n",
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"formula_full": "Bi2 H36 C6 S6 O36 F18",
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{
"id": "mp-556327",
"created_at": "2022-09-04T14:42:05.092811Z",
"structure_string": "K12 Hg6 C12 S12 Br12 N12\n1.0\n6.616253 -11.459687 0.000000\n6.616253 11.459687 0.000000\n0.000000 0.000000 11.701733\nK Hg C S Br N\n12 6 12 12 12 12\ndirect\n0.856624 0.531596 0.250000 K\n0.333333 0.666667 0.451938 K\n0.674972 0.143376 0.250000 K\n0.143376 0.468404 0.750000 K\n0.666667 0.333333 0.951938 K\n0.325028 0.856624 0.750000 K\n0.468404 0.325028 0.250000 K\n0.333333 0.666667 0.048062 K\n0.531596 0.674972 0.750000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.548062 K\n0.000000 0.000000 0.000000 K\n0.862221 0.673391 0.750000 Hg\n0.811170 0.137779 0.750000 Hg\n0.673391 0.811170 0.250000 Hg\n0.137779 0.326609 0.250000 Hg\n0.326609 0.188830 0.750000 Hg\n0.188830 0.862221 0.250000 Hg\n0.066841 0.659968 0.587107 C\n0.406872 0.066841 0.087107 C\n0.340032 0.406872 0.587107 C\n0.933159 0.340032 0.412893 C\n0.659968 0.593128 0.412893 C\n0.593128 0.933159 0.912893 C\n0.659968 0.593128 0.087107 C\n0.593128 0.933159 0.587107 C\n0.066841 0.659968 0.912893 C\n0.933159 0.340032 0.087107 C\n0.340032 0.406872 0.912893 C\n0.406872 0.066841 0.412893 C\n0.947548 0.663376 0.946708 S\n0.284172 0.947548 0.053292 S\n0.052452 0.336624 0.053292 S\n0.284172 0.947548 0.446708 S\n0.715828 0.052452 0.946708 S\n0.052452 0.336624 0.446708 S\n0.663376 0.715828 0.446708 S\n0.336624 0.284172 0.946708 S\n0.715828 0.052452 0.553292 S\n0.336624 0.284172 0.553292 S\n0.663376 0.715828 0.053292 S\n0.947548 0.663376 0.553292 S\n0.858861 0.363409 0.750000 Br\n0.180023 0.148153 0.250000 Br\n0.851847 0.031870 0.250000 Br\n0.636591 0.495452 0.750000 Br\n0.141139 0.636591 0.250000 Br\n0.968130 0.819977 0.250000 Br\n0.495452 0.858861 0.250000 Br\n0.819977 0.851847 0.750000 Br\n0.031870 0.180023 0.750000 Br\n0.363409 0.504548 0.250000 Br\n0.504548 0.141139 0.750000 Br\n0.148153 0.968130 0.750000 Br\n0.846092 0.341578 0.393826 N\n0.341578 0.495486 0.893826 N\n0.153908 0.658422 0.893826 N\n0.495486 0.153908 0.393826 N\n0.846092 0.341578 0.106174 N\n0.504514 0.846092 0.606174 N\n0.495486 0.153908 0.106174 N\n0.658422 0.504514 0.393826 N\n0.504514 0.846092 0.893826 N\n0.341578 0.495486 0.606174 N\n0.658422 0.504514 0.106174 N\n0.153908 0.658422 0.606174 N\n",
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},
{
"id": "mp-977569",
"created_at": "2022-09-04T14:42:10.742011Z",
"structure_string": "Na2 H12 C2 N4 Cl2 O4\n1.0\n2.566393 9.320962 0.000000\n-2.566393 9.320962 0.000000\n0.000000 2.180076 6.059433\nNa H C N Cl O\n2 12 2 4 2 4\ndirect\n0.305926 0.690140 0.739886 Na\n0.309860 0.694074 0.260114 Na\n0.789325 0.124263 0.540662 H\n0.701028 0.210982 0.050918 H\n0.641694 0.025746 0.901114 H\n0.082121 0.556953 0.450890 H\n0.636857 0.891082 0.343578 H\n0.967188 0.543649 0.107029 H\n0.456351 0.032812 0.892971 H\n0.108918 0.363143 0.656422 H\n0.443047 0.917879 0.549110 H\n0.974254 0.358306 0.098886 H\n0.789018 0.298972 0.949082 H\n0.875737 0.210675 0.459338 H\n0.365173 0.310222 0.666729 C\n0.689778 0.634827 0.333271 C\n0.493125 0.111380 0.835895 N\n0.162025 0.425841 0.591797 N\n0.574159 0.837975 0.408203 N\n0.888620 0.506875 0.164105 N\n0.960797 0.803116 0.113220 Cl\n0.196884 0.039203 0.886780 Cl\n0.624680 0.375320 0.000000 O\n0.957594 0.042406 0.500000 O\n0.431501 0.388557 0.582239 O\n0.611443 0.568499 0.417761 O\n",
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"formula_full": "Na2 H12 C2 N4 Cl2 O4",
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{
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{
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{
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{
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{
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{
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"structure_string": "Na2 Ni1 H20 C12 N12 O18\n1.0\n7.274038 0.000000 0.000000\n-0.942894 10.445794 0.000000\n-3.422232 -4.388250 8.965836\nNa Ni H C N O\n2 1 20 12 12 18\ndirect\n0.703873 0.401700 0.466067 Na\n0.296127 0.598300 0.533933 Na\n0.000000 0.000000 0.000000 Ni\n0.741738 0.690177 0.685524 H\n0.258262 0.309823 0.314476 H\n0.300612 0.901805 0.729176 H\n0.699388 0.098195 0.270824 H\n0.721132 0.837711 0.032740 H\n0.278868 0.162289 0.967260 H\n0.305023 0.405267 0.239524 H\n0.694977 0.594733 0.760476 H\n0.813423 0.439774 0.116304 H\n0.186577 0.560226 0.883696 H\n0.391891 0.116907 0.100942 H\n0.608109 0.883093 0.899058 H\n0.259096 0.629881 0.137772 H\n0.740904 0.370119 0.862228 H\n0.254641 0.805682 0.803173 H\n0.745359 0.194318 0.196827 H\n0.265388 0.986881 0.493081 H\n0.734612 0.013119 0.506919 H\n0.801319 0.788359 0.466121 H\n0.198681 0.211641 0.533879 H\n0.816000 0.603901 0.305026 C\n0.184000 0.396099 0.694974 C\n0.183546 0.798575 0.086881 C\n0.816454 0.201425 0.913119 C\n0.744400 0.610620 0.066324 C\n0.255600 0.389380 0.933676 C\n0.272936 0.798811 0.329809 C\n0.727064 0.201189 0.670191 C\n0.813045 0.996495 0.709072 C\n0.186955 0.003505 0.290928 C\n0.740252 0.810999 0.267452 C\n0.259748 0.189001 0.732548 C\n0.151855 0.930918 0.144192 N\n0.848145 0.069082 0.855808 N\n0.247977 0.935630 0.381208 N\n0.752023 0.064370 0.618792 N\n0.722955 0.745720 0.124042 N\n0.277045 0.254280 0.875958 N\n0.243595 0.734886 0.181440 N\n0.756405 0.265114 0.818559 N\n0.792754 0.542835 0.158512 N\n0.207246 0.457165 0.841488 N\n0.784120 0.738127 0.354805 N\n0.215880 0.261873 0.645195 N\n0.718670 0.935633 0.325321 O\n0.281330 0.064367 0.674679 O\n0.276341 0.455700 0.067567 O\n0.723659 0.544300 0.932433 O\n0.156067 0.734348 0.951855 O\n0.843933 0.265652 0.048145 O\n0.336104 0.821360 0.750143 O\n0.663896 0.178640 0.249857 O\n0.837661 0.872737 0.656271 O\n0.162339 0.127263 0.343729 O\n0.863706 0.542903 0.386786 O\n0.136294 0.457097 0.613214 O\n0.340046 0.400758 0.335746 O\n0.659954 0.599242 0.664254 O\n0.263203 0.097638 0.018277 O\n0.736797 0.902362 0.981723 O\n0.681506 0.262149 0.588715 O\n0.318494 0.737851 0.411285 O\n",
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{
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]
}