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{
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"structure_string": "Gd1 Cu5 Te4\n1.0\n2.148191 7.924325 0.000000\n-2.148191 7.924325 0.000000\n0.000000 3.214748 6.620794\nGd Cu Te\n1 5 4\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Cu\n0.194169 0.194169 0.145154 Cu\n0.694983 0.694983 0.640557 Cu\n0.805831 0.805831 0.854846 Cu\n0.305017 0.305017 0.359443 Cu\n0.875927 0.875927 0.445166 Te\n0.381942 0.381942 0.963488 Te\n0.124073 0.124073 0.554834 Te\n0.618058 0.618058 0.036512 Te\n",
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{
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"structure_string": "Ga8 O10\n1.0\n-4.451004 -4.878011 0.000000\n-4.451004 4.878011 0.000000\n4.451004 0.000000 -4.972347\nGa O\n8 10\ndirect\n0.277922 0.110446 0.650140 Ga\n0.372218 0.539694 0.650140 Ga\n0.889554 0.722078 0.349860 Ga\n0.972078 0.639554 0.849860 Ga\n0.460306 0.627782 0.349860 Ga\n0.877782 0.210306 0.849860 Ga\n0.360446 0.027922 0.150140 Ga\n0.789694 0.122218 0.150140 Ga\n0.180012 0.449385 0.980810 O\n0.800798 0.531425 0.980810 O\n0.550615 0.819988 0.019190 O\n0.069988 0.300615 0.519190 O\n0.468575 0.199202 0.019190 O\n0.449202 0.218575 0.519190 O\n0.699385 0.930012 0.480810 O\n0.781425 0.550798 0.480810 O\n0.000000 0.000000 0.000000 O\n0.250000 0.750000 0.500000 O\n",
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{
"id": "mp-1522754",
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"structure_string": "Ba1 Nd1 Eu1 V1 O6\n1.0\n0.000000 -4.226806 -4.226806\n4.226806 -0.000000 -4.226806\n4.226806 -4.226806 -0.000000\nBa Nd Eu V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n-0.000000 -0.000000 -0.000000 Nd\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 V\n0.726695 0.273305 0.273305 O\n0.273305 0.726695 0.726695 O\n0.726695 0.273305 0.726695 O\n0.273305 0.726695 0.273305 O\n0.726695 0.726695 0.273305 O\n0.273305 0.273305 0.726695 O\n",
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"formula_full": "Ba1 Nd1 Eu1 V1 O6",
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{
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"structure_string": "Sr4 Se8 O20\n1.0\n7.047852 0.000000 0.000000\n1.258035 6.999354 0.000000\n1.696471 0.703915 10.993671\nSr Se O\n4 8 20\ndirect\n0.194023 0.356416 0.892127 Sr\n0.805977 0.643584 0.107873 Sr\n0.685771 0.609063 0.756789 Sr\n0.314229 0.390937 0.243211 Sr\n0.583785 0.164522 0.624147 Se\n0.416215 0.835478 0.375853 Se\n0.128461 0.271877 0.568340 Se\n0.871539 0.728123 0.431660 Se\n0.123006 0.832535 0.787623 Se\n0.876994 0.167465 0.212377 Se\n0.304971 0.835620 0.041050 Se\n0.695029 0.164380 0.958950 Se\n0.700814 0.947139 0.664719 O\n0.299186 0.052861 0.335281 O\n0.540429 0.287090 0.754231 O\n0.459571 0.712910 0.245769 O\n0.034132 0.374747 0.700842 O\n0.965868 0.625253 0.299158 O\n0.241650 0.432401 0.477987 O\n0.758350 0.567599 0.522013 O\n0.338424 0.098480 0.624941 O\n0.661576 0.901520 0.375059 O\n0.318379 0.658000 0.768503 O\n0.681621 0.342000 0.231497 O\n0.813192 0.029580 0.094893 O\n0.186808 0.970420 0.905107 O\n0.464752 0.229373 0.027417 O\n0.535248 0.770627 0.972583 O\n0.793717 0.368790 0.943958 O\n0.206283 0.631210 0.056042 O\n0.048574 0.289250 0.131139 O\n0.951426 0.710750 0.868861 O\n",
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"formula_full": "Sr4 Se8 O20",
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{
"id": "mp-1197622",
"created_at": "2022-09-04T14:43:52.292486Z",
"structure_string": "Na4 Tl2 P6 H14 N6 O16\n1.0\n8.123905 0.000000 0.000000\n1.903315 7.933295 0.000000\n1.239848 1.791368 8.535053\nNa Tl P H N O\n4 2 6 14 6 16\ndirect\n0.926500 0.000975 0.330815 Na\n0.073500 0.999025 0.669185 Na\n0.147182 0.152643 0.995228 Na\n0.852818 0.847357 0.004772 Na\n0.625692 0.714692 0.425344 Tl\n0.374308 0.285308 0.574656 Tl\n0.248859 0.718985 0.149213 P\n0.751141 0.281015 0.850787 P\n0.554981 0.166748 0.152645 P\n0.445019 0.833252 0.847355 P\n0.786372 0.413160 0.129098 P\n0.213628 0.586840 0.870902 P\n0.535834 0.718008 0.089671 H\n0.464166 0.281992 0.910329 H\n0.255248 0.438645 0.125664 H\n0.744752 0.561355 0.874336 H\n0.511203 0.421640 0.235906 H\n0.488797 0.578360 0.764094 H\n0.971866 0.682129 0.619944 H\n0.028134 0.317871 0.380056 H\n0.066194 0.640568 0.460510 H\n0.933806 0.359432 0.539490 H\n0.250151 0.847636 0.394717 H\n0.749849 0.152364 0.605283 H\n0.269579 0.041723 0.345107 H\n0.730421 0.958277 0.654893 H\n0.422390 0.785011 0.045368 N\n0.577610 0.214989 0.954632 N\n0.214411 0.563364 0.067146 N\n0.785589 0.436636 0.932854 N\n0.613815 0.327910 0.212810 N\n0.386185 0.672090 0.787190 N\n0.098580 0.868734 0.126716 O\n0.901420 0.131266 0.873284 O\n0.679901 0.000177 0.206236 O\n0.320099 0.999823 0.793764 O\n0.296919 0.638277 0.315053 O\n0.703081 0.361723 0.684947 O\n0.942516 0.283321 0.184135 O\n0.057484 0.716679 0.815865 O\n0.752891 0.593834 0.161908 O\n0.247109 0.406166 0.838092 O\n0.366145 0.182292 0.201440 O\n0.633855 0.817708 0.798560 O\n0.956041 0.693436 0.508808 O\n0.043959 0.306564 0.491192 O\n0.211826 0.960398 0.425004 O\n0.788174 0.039602 0.574996 O\n",
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"formula_full": "Na4 Tl2 P6 H14 N6 O16",
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{
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"structure_string": "Cu6 O1 F11\n1.0\n3.276764 -0.023075 -0.022590\n-0.094193 13.804229 -0.184124\n0.582376 -0.066030 4.635905\nCu O F\n6 1 11\ndirect\n0.999412 0.001714 0.008018 Cu\n0.000452 0.666260 0.997711 Cu\n0.001984 0.327916 0.983317 Cu\n0.504122 0.498122 0.491919 Cu\n0.500191 0.834116 0.501918 Cu\n0.518201 0.177158 0.534151 Cu\n0.022074 0.233088 0.697280 O\n0.028485 0.565166 0.696722 F\n0.023929 0.901489 0.706573 F\n0.547672 0.264984 0.203023 F\n0.530338 0.598028 0.202929 F\n0.529234 0.932551 0.205462 F\n0.460076 0.068732 0.802352 F\n0.452573 0.399697 0.787019 F\n0.471741 0.734231 0.795370 F\n0.976214 0.766687 0.298732 F\n0.964010 0.101666 0.307520 F\n0.969292 0.428397 0.279984 F\n",
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{
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"structure_string": "Ge1 Te4 Pb3\n1.0\n4.563763 0.000000 0.000000\n0.000000 4.563763 0.000000\n0.000000 0.000000 12.916624\nGe Te Pb\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.237340 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.762660 Te\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.753046 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.246954 Pb\n",
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{
"id": "mp-1518226",
"created_at": "2022-09-04T14:43:52.326132Z",
"structure_string": "K1 La1 Sm1 Fe1 O6\n1.0\n-0.000000 -4.108407 -4.108407\n4.108407 0.000000 -4.108407\n4.108407 -4.108407 -0.000000\nK La Sm Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Fe\n0.772059 0.227941 0.227941 O\n0.227941 0.772059 0.772059 O\n0.772059 0.227941 0.772059 O\n0.227941 0.772059 0.227941 O\n0.772059 0.772059 0.227941 O\n0.227941 0.227941 0.772059 O\n",
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"formula_full": "K1 La1 Sm1 Fe1 O6",
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{
"id": "mp-661279",
"created_at": "2022-09-04T14:43:52.341999Z",
"structure_string": "Li2 Nb6 In2 Cl18\n1.0\n9.403611 0.000000 0.000000\n-1.121044 9.393909 0.000000\n-2.432137 -4.950952 7.699227\nLi Nb In Cl\n2 6 2 18\ndirect\n0.617971 0.859315 0.188707 Li\n0.382029 0.140685 0.811293 Li\n0.139468 0.324714 0.246663 Nb\n0.860532 0.675286 0.753337 Nb\n0.132251 0.452844 0.892413 Nb\n0.857814 0.320738 0.978797 Nb\n0.867749 0.547156 0.107587 Nb\n0.142186 0.679262 0.021203 Nb\n0.343021 0.783714 0.484317 In\n0.656979 0.216286 0.515683 In\n0.002741 0.917798 0.734319 Cl\n0.679891 0.764079 0.834092 Cl\n0.332586 0.905470 0.057087 Cl\n0.987794 0.232289 0.849461 Cl\n0.008175 0.346907 0.416082 Cl\n0.670032 0.897524 0.439177 Cl\n0.322236 0.655054 0.900323 Cl\n0.320109 0.235921 0.165908 Cl\n0.299891 0.402416 0.752115 Cl\n0.997259 0.082202 0.265681 Cl\n0.677764 0.344946 0.099677 Cl\n0.669210 0.494852 0.681695 Cl\n0.700109 0.597584 0.247885 Cl\n0.012206 0.767711 0.150539 Cl\n0.991825 0.653093 0.583918 Cl\n0.329968 0.102476 0.560823 Cl\n0.667414 0.094530 0.942913 Cl\n0.330790 0.505148 0.318305 Cl\n",
"nsites": 28,
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{
"id": "mp-752586",
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"structure_string": "Li4 Mn4 F16\n1.0\n5.021667 0.000000 0.000000\n0.000000 5.832786 0.000000\n0.000000 0.000000 10.879526\nLi Mn F\n4 4 16\ndirect\n0.423056 0.250000 0.080477 Li\n0.923056 0.750000 0.419523 Li\n0.076944 0.250000 0.580477 Li\n0.576944 0.750000 0.919523 Li\n0.464556 0.750000 0.240479 Mn\n0.964556 0.250000 0.259521 Mn\n0.035444 0.750000 0.740479 Mn\n0.535444 0.250000 0.759521 Mn\n0.625307 0.750000 0.088991 F\n0.793458 0.250000 0.111840 F\n0.246503 0.024134 0.186351 F\n0.246503 0.475866 0.186351 F\n0.746503 0.524134 0.313649 F\n0.746503 0.975866 0.313649 F\n0.293458 0.750000 0.388160 F\n0.125307 0.250000 0.411009 F\n0.874693 0.750000 0.588991 F\n0.706542 0.250000 0.611840 F\n0.253497 0.024134 0.686351 F\n0.253497 0.475866 0.686351 F\n0.753497 0.524134 0.813649 F\n0.753497 0.975866 0.813649 F\n0.206542 0.750000 0.888160 F\n0.374693 0.250000 0.911009 F\n",
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{
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{
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"structure_string": "Cs5 Tl11 Cd2\n1.0\n6.806874 -9.291958 0.000000\n6.806874 9.291958 0.000000\n0.000000 0.000000 5.895961\nCs Tl Cd\n5 11 2\ndirect\n0.226644 0.608021 0.500000 Cs\n0.513838 0.895150 0.000000 Cs\n0.608021 0.226644 0.500000 Cs\n0.631432 0.631432 0.500000 Cs\n0.895150 0.513838 0.000000 Cs\n0.137768 0.337505 0.000000 Tl\n0.147330 0.842696 0.000000 Tl\n0.284030 0.284030 0.500000 Tl\n0.287464 0.977312 0.500000 Tl\n0.337505 0.137768 0.000000 Tl\n0.429830 0.429830 0.000000 Tl\n0.794846 0.986611 0.500000 Tl\n0.836940 0.836940 0.000000 Tl\n0.842696 0.147330 0.000000 Tl\n0.977312 0.287464 0.500000 Tl\n0.986611 0.794846 0.500000 Tl\n0.062742 0.062742 0.249864 Cd\n0.062742 0.062742 0.750136 Cd\n",
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}