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{
"id": "mp-758429",
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"structure_string": "Li4 P16 W4 O48\n1.0\n9.209703 0.000000 0.000000\n0.000000 7.672119 0.000000\n0.000000 5.594766 14.348555\nLi P W O\n4 16 4 48\ndirect\n0.582634 0.909672 0.072593 Li\n0.082634 0.090328 0.427407 Li\n0.917366 0.909672 0.572593 Li\n0.417366 0.090328 0.927407 Li\n0.278762 0.351591 0.573937 P\n0.057412 0.655498 0.226671 P\n0.241213 0.749499 0.049485 P\n0.052675 0.072641 0.691728 P\n0.741213 0.250501 0.450515 P\n0.557412 0.344502 0.273329 P\n0.552675 0.927359 0.808272 P\n0.221238 0.351591 0.073937 P\n0.778763 0.648409 0.926063 P\n0.447325 0.072641 0.191728 P\n0.442588 0.655498 0.726671 P\n0.258787 0.749499 0.549485 P\n0.947325 0.927359 0.308272 P\n0.758787 0.250501 0.950515 P\n0.942588 0.344502 0.773329 P\n0.721238 0.648409 0.426063 P\n0.632151 0.348356 0.643387 W\n0.867849 0.348356 0.143387 W\n0.132151 0.651644 0.856613 W\n0.367849 0.651644 0.356613 W\n0.372131 0.869495 0.043754 O\n0.130911 0.771126 0.126830 O\n0.044842 0.184244 0.762504 O\n0.305216 0.397349 0.471410 O\n0.164286 0.588397 0.305215 O\n0.788672 0.469144 0.407026 O\n0.405905 0.273414 0.636826 O\n0.458258 0.494158 0.279129 O\n0.144552 0.213128 0.602717 O\n0.647432 0.094076 0.761010 O\n0.958258 0.505842 0.220871 O\n0.909587 0.044681 0.654932 O\n0.656039 0.216987 0.538612 O\n0.288672 0.530856 0.092974 O\n0.664286 0.411603 0.194785 O\n0.805216 0.602651 0.028590 O\n0.156039 0.783013 0.961388 O\n0.409587 0.955319 0.845068 O\n0.630911 0.228874 0.373170 O\n0.147432 0.905924 0.738990 O\n0.872131 0.130505 0.456246 O\n0.644552 0.786872 0.897283 O\n0.455158 0.184244 0.262504 O\n0.905905 0.726586 0.863174 O\n0.094095 0.273414 0.136826 O\n0.544842 0.815756 0.737496 O\n0.355448 0.213128 0.102717 O\n0.127869 0.869495 0.543754 O\n0.852568 0.094076 0.261010 O\n0.369089 0.771126 0.626830 O\n0.590413 0.044681 0.154932 O\n0.843961 0.216987 0.038612 O\n0.194784 0.397349 0.971410 O\n0.335714 0.588397 0.805215 O\n0.711328 0.469144 0.907026 O\n0.343961 0.783013 0.461388 O\n0.090413 0.955319 0.345068 O\n0.041742 0.494158 0.779129 O\n0.352568 0.905924 0.238990 O\n0.855448 0.786872 0.397283 O\n0.541742 0.505842 0.720871 O\n0.594095 0.726586 0.363174 O\n0.211328 0.530856 0.592974 O\n0.835714 0.411603 0.694785 O\n0.694784 0.602651 0.528590 O\n0.955158 0.815756 0.237496 O\n0.869089 0.228874 0.873170 O\n0.627869 0.130505 0.956246 O\n",
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{
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"created_at": "2022-09-04T14:43:10.918148Z",
"structure_string": "Na1 Ti5 Se8\n1.0\n1.793720 9.390922 0.000000\n-1.793720 9.390922 0.000000\n0.000000 2.401013 8.829338\nNa Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.349921 0.349921 0.991829 Ti\n0.290352 0.290352 0.349852 Ti\n0.709648 0.709648 0.650148 Ti\n0.650079 0.650079 0.008171 Ti\n0.426375 0.426375 0.177457 Se\n0.917146 0.917146 0.809451 Se\n0.840785 0.840785 0.497974 Se\n0.758141 0.758141 0.159763 Se\n0.241859 0.241859 0.840237 Se\n0.159215 0.159215 0.502026 Se\n0.082854 0.082854 0.190549 Se\n0.573625 0.573625 0.822543 Se\n",
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{
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{
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"structure_string": "U2 Co2 P4\n1.0\n3.705898 0.000000 0.000000\n0.000000 3.705898 0.000000\n0.000000 0.000000 9.170840\nU Co P\n2 2 4\ndirect\n0.000000 0.500000 0.763677 U\n0.500000 0.000000 0.236323 U\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.361185 P\n0.500000 0.000000 0.638815 P\n",
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{
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"structure_string": "Sr4 Ga2 Ni4 O14\n1.0\n12.503501 3.700426 0.000000\n-12.503501 3.700426 0.000000\n0.000000 3.409676 3.710609\nSr Ga Ni O\n4 2 4 14\ndirect\n0.832177 0.639841 0.022272 Sr\n0.168063 0.359972 0.992263 Sr\n0.359972 0.168063 0.992263 Sr\n0.639841 0.832177 0.022272 Sr\n0.182084 0.182084 0.523727 Ga\n0.818378 0.818378 0.386070 Ga\n0.064775 0.429880 0.509987 Ni\n0.429880 0.064775 0.509987 Ni\n0.564278 0.938680 0.507114 Ni\n0.938680 0.564278 0.507114 Ni\n0.670914 0.310714 0.032486 O\n0.148408 0.148408 0.178594 O\n0.676660 0.319244 0.511205 O\n0.644458 0.784559 0.552841 O\n0.834524 0.185067 0.984868 O\n0.831275 0.175960 0.502758 O\n0.851291 0.851291 0.975444 O\n0.310714 0.670914 0.032486 O\n0.319244 0.676660 0.511205 O\n0.218263 0.356576 0.480890 O\n0.356576 0.218263 0.480890 O\n0.784559 0.644458 0.552841 O\n0.175960 0.831275 0.502758 O\n0.185067 0.834524 0.984868 O\n",
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{
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{
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"structure_string": "Li4 Mn3 Cr3 Ni2 O16\n1.0\n2.904853 5.035672 0.000000\n-2.904853 5.035672 0.000000\n0.000000 0.049159 9.616661\nLi Mn Cr Ni O\n4 3 3 2 16\ndirect\n0.668392 0.668392 0.108934 Li\n0.998941 0.998941 0.001440 Li\n0.999211 0.999211 0.502349 Li\n0.335243 0.335243 0.608288 Li\n0.828750 0.828750 0.783108 Mn\n0.167786 0.660534 0.284656 Mn\n0.660534 0.167786 0.284656 Mn\n0.334924 0.830093 0.786575 Cr\n0.830093 0.334924 0.786575 Cr\n0.166568 0.166568 0.288801 Cr\n0.667227 0.667227 0.509283 Ni\n0.332733 0.332733 0.012799 Ni\n0.318340 0.844226 0.390857 O\n0.520440 0.520440 0.670530 O\n0.670072 0.670072 0.895431 O\n0.995902 0.995902 0.685989 O\n0.996126 0.996126 0.186712 O\n0.844226 0.318340 0.390857 O\n0.516811 0.964454 0.670464 O\n0.964454 0.516811 0.670464 O\n0.160240 0.160240 0.888858 O\n0.842622 0.842622 0.394594 O\n0.036696 0.480767 0.171865 O\n0.480767 0.036696 0.171865 O\n0.336970 0.336970 0.393858 O\n0.162906 0.681367 0.891097 O\n0.482781 0.482781 0.170189 O\n0.681367 0.162906 0.891097 O\n",
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{
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"structure_string": "Cu2 W2 O6 F4\n1.0\n9.811543 0.000000 0.000000\n0.000000 3.784801 0.000000\n0.000000 1.432804 5.086911\nCu W O F\n2 2 6 4\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.250000 0.791896 0.027440 W\n0.750000 0.208104 0.972560 W\n0.609148 0.120359 0.198194 O\n0.390852 0.879641 0.801806 O\n0.109148 0.879641 0.801806 O\n0.250000 0.265340 0.101792 O\n0.750000 0.734660 0.898208 O\n0.890852 0.120359 0.198194 O\n0.888018 0.332649 0.651688 F\n0.111982 0.667351 0.348312 F\n0.388018 0.667351 0.348312 F\n0.611982 0.332649 0.651688 F\n",
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{
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"structure_string": "Mg2 Al3 Cr1 S8\n1.0\n6.250686 -0.000158 3.608876\n2.083437 5.925967 3.608834\n-0.000019 -0.000065 7.217785\nMg Al Cr S\n2 3 1 8\ndirect\n0.874513 0.876420 0.874542 Mg\n0.125493 0.123612 0.125441 Mg\n0.499998 0.500023 0.499972 Al\n0.499994 0.499988 0.000015 Al\n0.000014 0.499987 0.500007 Al\n0.500011 0.999935 0.499988 Cr\n0.737290 0.737949 0.737290 S\n0.262717 0.262048 0.712505 S\n0.261832 0.714520 0.261827 S\n0.712503 0.262046 0.262729 S\n0.738137 0.285522 0.738159 S\n0.287478 0.737950 0.737298 S\n0.262741 0.262030 0.262737 S\n0.737281 0.737964 0.287490 S\n",
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{
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{
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"structure_string": "Cr2 Fe2 Te2 O12\n1.0\n4.576350 0.000000 0.000000\n0.000000 4.576350 0.000000\n0.000000 0.000000 9.126405\nCr Fe Te O\n2 2 2 12\ndirect\n0.500000 0.500000 0.165485 Cr\n0.000000 0.000000 0.665485 Cr\n0.500000 0.500000 0.833652 Fe\n0.000000 0.000000 0.333652 Fe\n0.500000 0.500000 0.499900 Te\n0.000000 0.000000 0.999900 Te\n0.196235 0.803765 0.497812 O\n0.803765 0.196235 0.497812 O\n0.303765 0.303765 0.997812 O\n0.696235 0.696235 0.997812 O\n0.189827 0.810173 0.166477 O\n0.810173 0.189827 0.166477 O\n0.310173 0.310173 0.666477 O\n0.689827 0.689827 0.666477 O\n0.803427 0.196573 0.836192 O\n0.196573 0.803427 0.836192 O\n0.696573 0.696573 0.336192 O\n0.303428 0.303428 0.336192 O\n",
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"elements": [
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"density": 5.758939766638671,
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"volume": 191.1341112037606,
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{
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"structure_string": "Zr4 Mn4 Al4\n1.0\n-2.520524 -4.485758 0.000000\n-2.624286 4.545669 0.000000\n0.000000 0.000000 -8.454265\nZr Mn Al\n4 4 4\ndirect\n0.667998 0.334006 0.556838 Zr\n0.336603 0.668301 0.428899 Zr\n0.336603 0.668301 0.071101 Zr\n0.667998 0.334006 0.943162 Zr\n0.664445 0.832214 0.750000 Mn\n0.822979 0.650583 0.250000 Mn\n0.822983 0.172373 0.250000 Mn\n0.347767 0.173903 0.250000 Mn\n0.992326 0.996166 0.491094 Al\n0.992326 0.996166 0.008906 Al\n0.173984 0.343015 0.750000 Al\n0.173987 0.830966 0.750000 Al\n",
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]
}