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{
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{
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"structure_string": "Na4 La4 Ga16 S32\n1.0\n0.000000 10.249384 10.305937\n6.137089 0.000000 10.305937\n6.137089 10.249384 0.000000\nNa La Ga S\n4 4 16 32\ndirect\n0.496051 0.496051 0.003949 Na\n0.003949 0.003949 0.496051 Na\n0.753949 0.753949 0.246051 Na\n0.246051 0.246051 0.753949 Na\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 La\n0.487438 0.758102 0.740940 Ga\n0.758102 0.487438 0.013520 Ga\n0.740940 0.013520 0.487438 Ga\n0.013520 0.740940 0.758102 Ga\n0.762562 0.491898 0.509060 Ga\n0.491898 0.762562 0.236480 Ga\n0.509060 0.236480 0.762562 Ga\n0.236480 0.509060 0.491898 Ga\n0.985483 0.265470 0.654627 Ga\n0.265470 0.985483 0.094420 Ga\n0.654627 0.094420 0.985483 Ga\n0.094420 0.654627 0.265470 Ga\n0.264517 0.984530 0.595373 Ga\n0.984530 0.264517 0.155580 Ga\n0.595373 0.155580 0.264517 Ga\n0.155580 0.595373 0.984530 Ga\n0.466891 0.276448 0.969961 S\n0.276448 0.466891 0.286701 S\n0.969961 0.286701 0.466891 S\n0.286701 0.969961 0.276448 S\n0.783109 0.973552 0.280039 S\n0.973552 0.783109 0.963299 S\n0.280039 0.963299 0.783109 S\n0.963299 0.280039 0.973552 S\n0.471018 0.777912 0.941630 S\n0.777912 0.471018 0.809440 S\n0.941630 0.809440 0.471018 S\n0.809440 0.941630 0.777912 S\n0.778982 0.472088 0.308370 S\n0.472088 0.778982 0.440560 S\n0.308370 0.440560 0.778982 S\n0.440560 0.308370 0.472088 S\n0.033799 0.548041 0.711273 S\n0.548041 0.033799 0.706888 S\n0.711273 0.706888 0.033799 S\n0.706888 0.711273 0.548041 S\n0.216201 0.701959 0.538727 S\n0.701959 0.216201 0.543112 S\n0.538727 0.543112 0.216201 S\n0.543112 0.538727 0.701959 S\n0.204213 0.714567 0.042148 S\n0.714567 0.204213 0.039072 S\n0.042148 0.039072 0.204213 S\n0.039072 0.042148 0.714567 S\n0.045787 0.535433 0.207852 S\n0.535433 0.045787 0.210928 S\n0.207852 0.210928 0.045787 S\n0.210928 0.207852 0.535433 S\n",
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{
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{
"id": "mp-1185496",
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"structure_string": "Lu1 Hf1 Rh2\n1.0\n0.000000 3.314906 3.314906\n3.314906 0.000000 3.314906\n3.314906 3.314906 0.000000\nLu Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "Ca1 Mn6 O4 F8\n1.0\n-5.517083 0.503231 0.017226\n-0.520767 4.893622 -6.083091\n0.502945 -5.194543 -3.292700\nCa Mn O F\n1 6 4 8\ndirect\n0.468788 0.491522 0.467116 Ca\n0.475322 0.994967 0.513475 Mn\n0.695938 0.685214 0.148242 Mn\n0.431934 0.309931 0.892031 Mn\n0.968823 0.683914 0.662509 Mn\n0.971513 0.299799 0.343630 Mn\n0.024136 0.990296 0.990073 Mn\n0.882170 0.758665 0.937311 O\n0.658828 0.760503 0.484803 O\n0.642039 0.430901 0.158952 O\n0.324710 0.232896 0.533669 O\n0.846202 0.424196 0.642045 F\n0.836962 0.061563 0.275926 F\n0.677857 0.081377 0.795473 F\n0.308198 0.570157 0.793336 F\n0.359466 0.917571 0.195989 F\n0.074562 0.589686 0.366259 F\n0.146196 0.240361 0.041509 F\n0.192463 0.909812 0.684737 F\n",
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"elements": [
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{
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"structure_string": "Rb4 U4 O14\n1.0\n-6.979564 0.000000 0.000000\n1.149736 7.445913 0.000000\n-0.024353 -2.169452 -7.764129\nRb U O\n4 4 14\ndirect\n0.241901 0.478816 0.621210 Rb\n0.264447 0.490264 0.121710 Rb\n0.758099 0.521184 0.378790 Rb\n0.735553 0.509736 0.878290 Rb\n0.030313 0.993668 0.246521 U\n0.969687 0.006332 0.753479 U\n0.500000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.063367 0.254221 0.310546 O\n0.191769 0.022650 0.559467 O\n0.008451 0.268046 0.819613 O\n0.191848 0.021102 0.953445 O\n0.554947 0.263841 0.083198 O\n0.445053 0.736159 0.916802 O\n0.365381 0.980598 0.245110 O\n0.555131 0.263649 0.548327 O\n0.444869 0.736351 0.451673 O\n0.808231 0.977350 0.440533 O\n0.634619 0.019402 0.754890 O\n0.936633 0.745779 0.689454 O\n0.808152 0.978898 0.046555 O\n0.991549 0.731954 0.180387 O\n",
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{
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"structure_string": "Na2 Mg2 As1\n1.0\n6.314595 0.000000 0.000000\n0.000000 6.314595 0.000000\n0.000000 0.000000 15.549205\nNa Mg As\n2 2 1\ndirect\n0.500000 0.500000 0.181585 Na\n0.500000 0.500000 0.818415 Na\n0.500000 0.500000 0.604443 Mg\n0.500000 0.500000 0.395557 Mg\n0.500000 0.500000 0.000000 As\n",
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{
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"structure_string": "Pt2 N4 Cl8\n1.0\n4.897781 0.000000 0.000000\n0.000000 4.897781 0.000000\n0.000000 0.000000 12.600888\nPt N Cl\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.287367 0.712633 0.000000 N\n0.712633 0.287367 0.000000 N\n0.212633 0.212633 0.500000 N\n0.787367 0.787367 0.500000 N\n0.258447 0.741553 0.370213 Cl\n0.741553 0.258447 0.370213 Cl\n0.241553 0.241553 0.870213 Cl\n0.758447 0.758447 0.870213 Cl\n0.741553 0.258447 0.629787 Cl\n0.258447 0.741553 0.629787 Cl\n0.758447 0.758447 0.129787 Cl\n0.241553 0.241553 0.129787 Cl\n",
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"volume": 302.2733614956555,
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{
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"structure_string": "Li4 Ti8 Nb4 Cu8 O36\n1.0\n6.475089 0.000000 0.000000\n-2.196136 6.148722 0.000000\n-2.095341 -3.075695 15.939569\nLi Ti Nb Cu O\n4 8 4 8 36\ndirect\n0.008159 0.925263 0.976721 Li\n0.836002 0.333823 0.832211 Li\n0.692306 0.591951 0.679356 Li\n0.394633 0.436088 0.325040 Li\n0.681825 0.156150 0.664428 Ti\n0.512005 0.508612 0.498109 Ti\n0.337270 0.848563 0.334578 Ti\n0.828602 0.819646 0.828653 Ti\n0.010554 0.002663 0.496044 Ti\n0.995884 0.484909 0.002787 Ti\n0.687792 0.675813 0.165980 Ti\n0.180210 0.180527 0.165174 Ti\n0.321679 0.324016 0.833473 Nb\n0.169780 0.661711 0.663011 Nb\n0.846220 0.333999 0.331827 Nb\n0.513087 0.998502 0.003186 Nb\n0.330718 0.832886 0.834243 Cu\n0.173578 0.162709 0.663182 Cu\n0.001511 0.501725 0.498764 Cu\n0.828886 0.830348 0.332675 Cu\n0.500889 0.001105 0.499628 Cu\n0.504241 0.503230 0.002076 Cu\n0.665434 0.167657 0.169557 Cu\n0.170579 0.666712 0.165762 Cu\n0.781277 0.262939 0.961368 O\n0.641717 0.958782 0.769977 O\n0.648814 0.535076 0.821525 O\n0.447517 0.937108 0.622714 O\n0.641981 0.812310 0.940949 O\n0.386839 0.074596 0.898509 O\n0.424334 0.247570 0.724205 O\n0.308716 0.613327 0.433676 O\n0.311474 0.184358 0.496078 O\n0.252865 0.429947 0.942040 O\n0.268516 0.590040 0.771726 O\n0.303859 0.475247 0.606226 O\n0.119137 0.595914 0.289657 O\n0.051066 0.746336 0.561575 O\n0.029584 0.855983 0.724657 O\n0.080650 0.900892 0.392855 O\n0.973739 0.286439 0.105377 O\n0.020869 0.131361 0.841662 O\n0.984740 0.851682 0.163723 O\n0.021171 0.712065 0.897543 O\n0.916696 0.093197 0.606041 O\n0.962786 0.139553 0.272898 O\n0.947847 0.256356 0.437383 O\n0.885782 0.408827 0.702040 O\n0.710853 0.411772 0.231907 O\n0.691644 0.517879 0.391033 O\n0.759841 0.582359 0.059268 O\n0.682543 0.811374 0.501831 O\n0.691768 0.386763 0.562490 O\n0.576740 0.758236 0.273352 O\n0.614415 0.922328 0.107048 O\n0.370656 0.192178 0.060733 O\n0.552218 0.066015 0.377067 O\n0.350499 0.475229 0.171096 O\n0.356061 0.050407 0.231515 O\n0.218941 0.736947 0.041791 O\n",
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{
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"structure_string": "Ba2 Ni1 N2\n1.0\n0.000000 -4.144981 0.000000\n-4.136911 0.000000 0.000000\n2.068456 2.072491 -6.409513\nBa Ni N\n2 1 2\ndirect\n0.855389 0.855389 0.210777 Ba\n0.144611 0.144611 0.789223 Ba\n0.500000 0.500000 0.500000 Ni\n0.362780 0.362780 0.225562 N\n0.637220 0.637220 0.774438 N\n",
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}