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{
"id": "mp-1218422",
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{
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{
"id": "mp-15220",
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"structure_string": "K4 V2 Cu2 Se8\n1.0\n0.000000 6.780415 11.940279\n2.823619 0.000000 11.940279\n2.823619 6.780415 0.000000\nK V Cu Se\n4 2 2 8\ndirect\n0.680034 0.680034 0.319966 K\n0.319966 0.319966 0.680034 K\n0.569966 0.569966 0.930034 K\n0.930034 0.930034 0.569966 K\n0.500000 0.500000 0.500000 V\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Cu\n0.360770 0.026729 0.939844 Se\n0.672657 0.939844 0.026729 Se\n0.939844 0.672657 0.360770 Se\n0.026729 0.360770 0.672657 Se\n0.889230 0.223271 0.310156 Se\n0.577343 0.310156 0.223271 Se\n0.310156 0.577343 0.889230 Se\n0.223271 0.889230 0.577343 Se\n",
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},
{
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"structure_string": "Hf2 Ag3 F14\n1.0\n3.402359 4.742809 0.000000\n-3.402359 4.742809 0.000000\n0.000000 0.196156 9.253529\nHf Ag F\n2 3 14\ndirect\n0.590635 0.590635 0.785622 Hf\n0.409365 0.409365 0.214378 Hf\n0.000000 0.000000 0.000000 Ag\n0.811845 0.811845 0.396037 Ag\n0.188155 0.188155 0.603963 Ag\n0.143905 0.731219 0.161778 F\n0.268781 0.856095 0.838222 F\n0.856095 0.268781 0.838222 F\n0.731219 0.143905 0.161778 F\n0.152472 0.505423 0.383748 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.607938 0.607938 0.293824 F\n0.392062 0.392062 0.706176 F\n0.227635 0.227635 0.120663 F\n0.772365 0.772365 0.879337 F\n0.505423 0.152472 0.383748 F\n0.847528 0.494577 0.616252 F\n0.494577 0.847528 0.616252 F\n",
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{
"id": "mp-1204163",
"created_at": "2022-09-04T14:43:40.587864Z",
"structure_string": "Ca2 Zr2 Si12 O34\n1.0\n7.093108 7.128335 0.000000\n-7.093108 7.128335 0.000000\n0.000000 2.652109 7.493972\nCa Zr Si O\n2 2 12 34\ndirect\n0.989230 0.495792 0.958426 Ca\n0.504208 0.010770 0.041574 Ca\n0.249132 0.253521 0.994884 Zr\n0.746479 0.750868 0.005116 Zr\n0.051716 0.329495 0.655552 Si\n0.670505 0.948284 0.344448 Si\n0.819989 0.557393 0.659663 Si\n0.442608 0.180011 0.340337 Si\n0.977843 0.708887 0.270387 Si\n0.291113 0.022157 0.729613 Si\n0.201944 0.491728 0.269841 Si\n0.508272 0.798056 0.730159 Si\n0.988945 0.022534 0.694877 Si\n0.977466 0.011055 0.305123 Si\n0.511340 0.494717 0.699008 Si\n0.505283 0.488660 0.300992 Si\n0.010047 0.989953 0.500000 O\n0.487043 0.512957 0.500000 O\n0.151751 0.374848 0.456378 O\n0.625152 0.848249 0.543622 O\n0.862113 0.654814 0.458933 O\n0.345186 0.137887 0.541067 O\n0.130646 0.328744 0.811917 O\n0.671256 0.869354 0.188083 O\n0.918901 0.678237 0.107350 O\n0.321763 0.081099 0.892650 O\n0.824255 0.638782 0.812634 O\n0.361218 0.175745 0.187366 O\n0.171756 0.428636 0.108485 O\n0.571364 0.828244 0.891515 O\n0.936964 0.444377 0.689661 O\n0.555623 0.063036 0.310339 O\n0.116015 0.626715 0.286288 O\n0.373285 0.883985 0.713712 O\n0.969986 0.186215 0.679750 O\n0.813785 0.030014 0.320250 O\n0.015713 0.871006 0.237009 O\n0.128994 0.984287 0.762991 O\n0.674530 0.473807 0.692906 O\n0.526193 0.325470 0.307094 O\n0.363768 0.529694 0.237860 O\n0.470306 0.636232 0.762140 O\n0.418130 0.368288 0.839028 O\n0.631712 0.581870 0.160972 O\n0.858199 0.933738 0.838856 O\n0.066262 0.141801 0.161144 O\n0.920102 0.306525 0.221136 O\n0.693475 0.079898 0.778864 O\n0.189354 0.642918 0.898027 O\n0.357082 0.810646 0.101973 O\n",
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"formula_full": "Ca2 Zr2 Si12 O34",
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{
"id": "mp-1027140",
"created_at": "2022-09-04T14:43:40.621158Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n1.628543 -2.820719 0.000000\n1.628543 2.820719 0.000000\n0.000000 0.000000 36.941398\nMo W Se S\n1 3 4 4\ndirect\n0.000000 0.000000 0.093910 Mo\n0.000000 0.000000 0.469719 W\n0.333333 0.666667 0.281758 W\n0.333333 0.666667 0.657566 W\n0.000000 0.000000 0.327972 Se\n0.333333 0.666667 0.423467 Se\n0.333333 0.666667 0.515911 Se\n0.000000 0.000000 0.235514 Se\n0.000000 0.000000 0.699524 S\n0.333333 0.666667 0.052157 S\n0.333333 0.666667 0.135659 S\n0.000000 0.000000 0.615590 S\n",
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],
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"formula_full": "Mo1 W3 Se4 S4",
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"spacegroup": 156
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{
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"structure_string": "Ga2 Co1 Ru1\n1.0\n0.000000 2.965670 2.965670\n2.965670 0.000000 2.965670\n2.965670 2.965670 0.000000\nGa Co Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Sr8 Co4 O16\n1.0\n3.672799 -0.088560 5.733806\n-7.765269 3.767518 1.058315\n0.631534 -7.532006 2.182522\nSr Co O\n8 4 16\ndirect\n0.281821 0.320336 0.336778 Sr\n0.281443 0.319971 0.842575 Sr\n0.282167 0.818736 0.092849 Sr\n0.282440 0.819376 0.585197 Sr\n0.717679 0.677167 0.655797 Sr\n0.718110 0.677491 0.162769 Sr\n0.718267 0.179886 0.407042 Sr\n0.718207 0.179788 0.913853 Sr\n0.000061 0.495407 0.747925 Co\n0.999386 0.001076 0.500841 Co\n0.000875 0.498287 0.249221 Co\n0.000954 0.983066 0.991220 Co\n0.682327 0.421862 0.291986 O\n0.692904 0.422351 0.786212 O\n0.681383 0.926782 0.043688 O\n0.691240 0.919421 0.536315 O\n0.307471 0.575445 0.710937 O\n0.318459 0.580365 0.210187 O\n0.307490 0.074001 0.461597 O\n0.318002 0.087072 0.962163 O\n0.000802 0.504582 0.490835 O\n0.998532 0.503284 0.013079 O\n0.000264 0.004717 0.244131 O\n0.998689 0.003809 0.760197 O\n0.999792 0.247621 0.623505 O\n0.001187 0.268855 0.134376 O\n0.999407 0.741662 0.371591 O\n0.000640 0.747583 0.873136 O\n",
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{
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"structure_string": "Li10 Ti4 V6 O20\n1.0\n-0.941183 5.077145 0.125433\n5.182857 0.055834 -0.114148\n-1.499553 1.174992 -14.305862\nLi Ti V O\n10 4 6 20\ndirect\n0.749333 0.748585 0.246237 Li\n0.245128 0.247106 0.750408 Li\n0.195502 0.515854 0.295342 Li\n0.693866 0.019357 0.796201 Li\n0.300980 0.975248 0.200829 Li\n0.799057 0.478982 0.701603 Li\n0.411034 0.505579 0.109435 Li\n0.906340 0.001406 0.609309 Li\n0.088741 0.993471 0.387753 Li\n0.584311 0.489407 0.887761 Li\n0.864250 0.245947 0.154528 Ti\n0.368087 0.754149 0.651448 Ti\n0.626865 0.241213 0.345332 Ti\n0.131041 0.749227 0.842301 Ti\n0.497379 0.996912 0.998572 V\n0.439604 0.241624 0.550475 V\n0.555550 0.753417 0.446444 V\n0.997391 0.497013 0.498524 V\n0.947840 0.732446 0.048083 V\n0.047498 0.263008 0.948809 V\n0.155172 0.116110 0.075506 O\n0.664873 0.623394 0.575296 O\n0.330049 0.371439 0.421730 O\n0.840287 0.880234 0.921336 O\n0.550029 0.360377 0.229389 O\n0.046246 0.860515 0.727105 O\n0.948684 0.134645 0.269816 O\n0.444874 0.635051 0.767596 O\n0.725730 0.366971 0.032881 O\n0.217730 0.854100 0.530934 O\n0.777156 0.140695 0.466048 O\n0.269864 0.626616 0.963695 O\n0.876885 0.602532 0.378692 O\n0.351779 0.107333 0.874323 O\n0.642341 0.887906 0.122798 O\n0.118135 0.392246 0.618401 O\n0.065543 0.594091 0.169271 O\n0.559819 0.096714 0.670932 O\n0.435281 0.898415 0.326083 O\n0.929226 0.401109 0.827814 O\n",
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{
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{
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}